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Data Ally User`s manua– - Scientific Systems

1. J Pyramid PD e Scanner amp Exporte Me File Help File Stats File Pointer File Export Lowest Points __ 0 00 peat Binary C Validator C ASCII Do All Points Next Point Stop Print Form Exit Figure 12 6 File Export Dialog This dialog allows reformatting of single pdf files from any disk path into ASCII format or reconversion to native Data Ally or binary format This dialog can also be used to scan files to evaluate their data structures and determine the range of signal values in each file To select a data file click File in the dialog s command menu bar to view the Files Recall dialog Figure 12 7 Use this dialog to choose a Data Ally chromatogram file in any disk path when the desired file is shown click OK or on CANCEL to abort HPLC1 lt lt Ready gt gt Configure Quit Ip lL Pyramid PDF File Scanner amp Exporter I41 File Help SC File Help E IULII ILDUAL DE LLL amp I File Name Directories 987 571 pdf c pyramid pdf T Sax call Dis pdf manh p36 pdf rm p36120 m pdf p subtract pdf L1 Bead Only List Files of Type Drives POF Fiesta E mic medors e ix 0T 7T TT uum Figure 12 7 Export Files Dialog After clicking OK the Files dialog will disappear and the name of the selected file will a
2. i c MS DOS 5 Convert Single File Convert All Files Help Choose file to convert amp click on Convert Single File button to translate selected file OR click on 700 file list box and Convert All Files button to translate all files in the directory Figure 12 5 Axxiom 700 Series File Conversion Dialog This function will find all files in the typical 700 series data file format with file names having the extensions 0 in any disk path and will allow you to convert any or all of the files to Data Ally pdf format You can also type in the name of a known 700 Series data file path and filename to convert single files on a one at a time basis To convert one data file only click inside the File to Convert entry box at upper left and type in any valid path filename for a 700 Series raw data file The name of the new converted file will appear in the box marked Data Ally PDF Files at right which will have the same root filename as the existing 700 series file and will appear in the same path by default If you wish to edit the new filename or path location simply click on the PDF file name shown in the right hand box and edit its name and path as desired Then click the Convert Single File button at bottom right to perform the file conversion Both a copy of the existing 700 Series data file and the new converted file will remain on disk after each conversion event To convert a series of fil
3. Read Only Select Detector C UV Vis ECD Top List Files of Type Drives Chromatogram Data File c ms dos_5 Description Figure 7 9 Files Load Dialog When you load a chromatogram which has been previously saved after an integration the last set of baseline marker codes which is always saved as part of the raw data file will also be recalled and displayed along with baseline corresponding to those codes You can use the Graph Display Attributes settings Section 7 6 2 to turn off baseline and or code drawing if you prefer 7 2 1 4 Saving Chromatograms The Save As command causes a chromatogram currently in the active Graph window to be saved using the existing filename or a new filename Each file has a unique name and an optional description If no filename is available Save As will prompt you to enter a new one The SaveAll command resaves all loaded chromatograms using their existing names 2 To save a chromatogram file click the left mouse button on the Files Save As command A dialog box will appear showing a listing of files in the current directory path and any previous name for the currently selected file Figure 7 10 Click in the FILENAME field and type in the desired filename If the filename currently shown is suitable click on OK to save the current file in the foreground register using that name A description can also be entered when any file is saved or resaved by clicking in the
4. Zoom Box idipdfmanh p36 pdf Zoom Center gt Figure 7 27 View Submenu Commands 7 5 1 View Commands The View submenu commands are as follows Zoom Box Places a special zoom locator box on the current Graph window which indicates the current view in relation to the entire chromatogram Checking the Zoom Box command in the submenu activates the Zoom Box Figure 7 28 and unchecking it defeats the Zoom Box display Once displayed the Zoom Box can be resized and repositioned like any other window Inside the bottom portion of the Zoom Box are numerical indicators of the current time and signal coordinates range covered by the current view in the Graph window One Zoom Box can be enabled for each Graph window displayed 123 Data Ally Chromatography Manager Operators Manual 2 To enable the Zoom Box in the active Graph window click on Zoom Box The Zoom Box will appear at the upper right of the Graph window Inside you will be able to see a miniature image of the current foreground chromatogram file with the portion of the file highlighted in a rectangular area corresponding to the image actually being observed in the Graph You can now resize and or reposition the Zoom Box as desired HPLC1 lt lt Ready gt gt it Math Display View Print Graph c pyramid pdf manh p36 pdf T Zoom Box be o e Millivolts 11 955 5 12744 6 Figure 7 28 Zoom Box Enabled in Graph Window e Zoom Cente
5. 23 Data Ally Chromatography Manager Operators Manual check or uncheck any check box click the left mouse button with the pointer on the desired checkbox or on the item label for that checkbox Each click will toggle the box to its alternate entry Radio Buttons Radio Buttons are like check boxes but differ in that they select only one from a group of mutually exclusive options or items in a dialog box For example if you select the radio button for the second item in a group of three items in which the first item was previously selected the second item s button will be dark or active and the first item s button will become inactive To set a radio button point at the desired button with the pointer and click the left mouse button The setting for the button will toggle along with the setting of any other active button A group of radio buttons for selecting the display register for file loading appears at the middle right in Figure 4 3 Example Areas These are areas in a dialog box which are used to show an example of some function or attribute such as a picture of a font you have just selected or a color Examples are provided to make it easier to choose the most desirable setting for certain parameters Command Buttons Command Buttons are single function buttons such as OK or CANCEL in Figure 4 3 Usually command buttons cause another dialog box to appear if the command on the button is followed by an ellipsis or some
6. 7 3 3 2 Drawing New Baselines 2 To draw baselines under unintegrated peaks click on Draw Baseline in the Define Baseline submenu and then click on Draw Baseline in the poppa menu Figure 7 15 which appears A small B will now appear on the Graph window above the cursor position with a vertical line beneath it You can move the cursor so that the vertical line coincides with the beginning of a new peak and then click the left mouse button to anchor the B or Begin Peak code at that position Now as you move the cursor to the right a new baseline segment will rubber band under the chromatogram which ends with an E and another vertical line To mark the end point of the peak move the E to coincide with the exact end position and click the left button again to anchor it The new codes and joining baseline segment will be anchored to the chromatogram and the newly defined peak will be automatically reintegrated its new retention time number and name if identified in the current Peak Table appearing on the display You can continue to move anywhere in the chromatogram and mark additional peaks in the same manner 111 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt it Math Display View Baseline f Dropline Pease Clear Codes Move Codes v Zoom In Zoom Out Undo 0 End Drawing 19 955 18 Millivolts 27551 29 Figure 7 15 Baseline Edit Pop up Selector If you use Draw Baseli
7. cfq c ms dos_5 Description Figure 5 74 Load Configuration Dialog Select the desired configuration file and click OK to load it or click CANCEL You can now edit this file in the same manner as you have defined a configuration above To exit Configuration Mode In the UTIL screen click the File command on the top menu bar to see the Files submenu Figure 5 72 Click on Exit Configuration the Exiting Configuration dialog will appear Figure 5 75 TB1 lt lt Configure gt gt File Component Help Configuration pyrnew cfg Graph r ipa Exiting Configuration Integ Do you want to make these changes permanent Sequence Q Note The permanent configuration will be restored if you decide to not save the current changes Calib Figure 5 75 Exiting Configuration Dialog This dialog specifies whether or not the CURRENTLY LOADED Configuration file will become the new default configuration for Data Ally or whether the last used configuration will remain as the default 88 Data Ally Chromatography Manager Operators Manual Click Yes to make the current configuration file which you have loaded and or edited the new default configuration and to initialize Data Ally using that configuration Click No to revert to the previously used configuration file located in any disk directory path and initialize Data Ally using that configuration If you need to make additional conf
8. 8 5 5 Printing Methods S To print a summary of the current Method file click on Print Method in the File submenu the Reporting status window Figure 8 12 will appear This window indicates which Method file the default method is part of the configuration cfg file is currently loaded the report template file configured for printing the method summary and any configured saved report name HPLC1 lt lt Reporting gt gt Reporting Now Preparing Method File pyrnew c g Using Template reports met met xls Saved Report Figure 8 12 Reporting Status Window The method file printing template saved as reports met met xls can be modified as desired by using Excel see Section 13 157 Data Ally Chromatography Manager Operators Manual 9 0 Integration Screen Finding and Identifying Peaks The Integration program screen which can be viewed by clicking on the INTEGRATE button on the left SoftButton bar contains the instructions required for finding peaks during integration of chromatograms and for identifying individual peaks based on retention times peak referencing and other information It also specifies the type s of reports to be prepared after each chromatogram file is processed You may wish to rename the Integration screen SoftButton Peak Ident to clarify its true function for other operators Like the other Data Ally programming screens the Integration screen display should be considered as
9. If the highlighted cell is in the top row of the table when this command is used its effect is identical to that of the Current Cell to End of Table range This setting is most suitable when using the Fill From Graph mode for Zone Codes e Start Row Start of Table End Row Specify this selection will cause filling of entries from the current highlighted cell at start of table to a specified row number The qualifying commands and fields at the bottom of the AutoFill dialog provide great flexibility for the filling functions These are e Step Value when in Increment mode this field sets the value in units corresponding to the current column by which the highlighted basis cell is to be incremented or decremented If this value is not given during an increment operation between two existing entries in a column the system will automatically compute and force a series of evenly incremented values in empty or newly inserted rows between those entries e No of Steps when in Duplicate Increment or Fill From Graph modes this field sets a limit to the number of rows in the current column which are to be filled with new values If the number of existing empty rows in the specified range exceeds the No of Steps value only part of that range will be filled if the No of Steps value exceeds the number of existing empty rows new rows will be added to the table and filled as specified provided Allow Row Insertions
10. Method Press Ctrl Enter to start a new line Integ Baseline Drift Sequence u uvis Min Height 100 uV Calib Min Width Min Area Figure 5 55 Integration Default Description Dialog Assigning an Existing Integration File As Default Instead of creating a new name and completely entering a default integration file you can re assign an existing Data Ally integration file and its file configuration as the default configuration for the current time base An assigned file will replace any existing file shown in the Configuration Integration Window and will substitute the new file s parameters and configuration in place of the old To do this click on File in the top command menu bar for the File submenu Figure 5 54 and select Assign Integration from the pulldown submenu in the same manner as described for Method files above the Integration Default Assignment dialog will appear Figure 5 56 73 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt Intenration default int ASSIGN DEFAULT INTEGRATION FILE Directories c pyramid caltest int e c test int f pyramid C3 anticon5 e iE Read Only mws testl int C3 orgacids senence 3 pdf C3 program C3 pyrtemp Calib List Files of Type Drives Integration Files 7 int c ms dos_5 B Utilities Description HPLC1 Timebase Herci Figure 5 56 Integration Default Assignment Dialog
11. Smp No Sample Number Smp Desc Sample Description Comment Comment When all desired items are highlighted click OK to proceed and redraw the table You can now use the Button Edit Pop up tools to retitle or recolor any of the column buttons or the drag and drop tool to change the column order and relative widths 85 Data Ally Chromatography Manager Operators Manual You can also use the Button Edit Pop up to change the spreadsheet function buttons COPY PASTE CUT FILL INSERT DELETE HOLD CLEAR and screen selector button GRAPH below the table The order of these buttons can be changed within each of the three functional groupings by dragging and dropping If appropriate you can now enter information directly into the Sequence table to create a default table Entries can be made by typing directly into cells or by using the spreadsheet or FILL functions This is recommended only if a generic batch listing will be used to run most applications on this time base See Section 11 below for a complete explanation of the use of Sequence functions You can use the Clear Sequence command in the Sequence Default File submenu to clear all existing entries from the default sequence table The Sequence defaults should now be completely defined Click on OK to finish 5 2 6 6 Retitling Reordering and Coloring Program SoftButtons If you have not already done so like all other Data Ally screen elements the SoftButtons display
12. The Sequence program filing system operates in a manner identical to that of every other Data Ally programming screen The Sequence screen display comprising both the top level dialog box and the Sequence Table is configured as a template to show information about the current sequence instructions loaded into the channel being observed The contents of the Sequence screen display can be saved as a unique Sequence file with a unique filename and description so that it can be recalled and reused at any future time The default Sequence file whose name is assigned during Configuration is always loaded automatically into the Sequence display screen at the time Data Ally is initialized You can change any aspects of the default file within the active software except for the features and options which 214 Data Ally Chromatography Manager Operators Manual are either fixed or temoved in the Configuration These items can of course also be reset or restored but the channel must be disabled and a re Configuration performed to accomplish this The Files commands in the Sequence Command Menu bar Figure 11 4 are used to load save clear and delete Sequence program files HPLC1 lt lt Ready gt gt File Load Sequence Load Default default seq Sequence default seq read only Position Reports Start Sequence Description Ix Print Clear Sequence I Show Save Sequence As Print
13. defa Sen ASSIGN DEFAULT SEQUENCE FILE DD E DECIRLE c pyramid 4 Method rA pyramid testmet seq testmetl seq anticon5 Integ testmet2 seq mer I Bead Only C3 orgacids pdf C3 program C3 pyrtemp Calib List Files of Type Drives Sequence Files seq B c ms dos_5 B Utilities Description HPLC1 Timebase Herc Figure 5 70 Assigning Sequence Default File Sequence Table The Sequence or Batch table at the bottom of the screen can include any series of column functions for complete automated processing of single sample injections or batches of injections Begin by reviewing the current contents and available columns for this table click inside the table window to make it active place the pointer on any column header button and click the RIGHT mouse button to see the Button Edit Pop up Click Enable Disable to view the Configure Sequence Table Columns Dialog Figure 5 71 84 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File Sequence default seq Help Configure Sequence Table Columns Graph Selections Method Integ injs Number of Injections calib No Sequence Number Cal Code Calibration Code Utilities Cal Lev Calibration Level l Cal HistllEnable Enable Calibratio H HPLC1 Timebase HPLC1 Figure 5 71 Configure Sequence Table Columns Dialog You can now choose all desired column elem
14. sees ene nene trennen trennen nne ene 45 Figure 5 16 Loading a Chromatogram In Configuration Graph Screen seen 46 Figure 5 17 Graph Edit Default Submenu sse enne nennen trennen trennen enne 47 Figure 5 18 Analyze Default Dialog sese nennen nennen trennen eene nenne aeii 47 Figure 5 19 Selecting Default Report From Existing Template Files sese 48 Figure 5 20 Calibrate Default Dialog inte ttt eripe onr E TETERE EEES 48 Figure 5 21 Integrate Default Dyalog iii ERR eon IE RAPIDE 49 Figure 5 22 Configuration Graph Display Submenu sees eene eene rennen enne nnne 50 Figure 5 23 Setting Default Display Attributes esee enne 50 Figure 5 24 Setting Default Display Colors esee eene enne nennen etre 51 The Component Set dialog box Figure 5 3 will appear sese eene 51 Figure 5 26 Offset Default Dialog isc tree Rete ER eter inea tee En pe eie eet eroe 52 Figure 5 27 Pumps Offset Display Dialog eese nennen nennen eren 52 Figure 5 28 Display Scaling Default Dialog nnne neen eene enne 53 Figure 5 29 Pump Scaling Default Dnalog z c e t EE ute gs teet ette EROR 54 Figure 5 30 Status Box Default Dialog eseseesseseeseeeeenene ene n enn nnen trennen nennen enne enn tenete 54 Figure 5 31 Graph View Default Submenu sese nre nennen rene enne
15. to 2 signals to 2 signals to 2 signals to 2 signals to 2 signals to 2 sig 4 files to 2 sig 4 files to 2 sig 4 files to 2 sig 4 files to 2 sig 4 files to 2 sig 4 files to 2 sig 4 files to 2 signals to 2 signals Templates Using This Field Met Met Met Met Met Met Met Met Met Met Met Met Met Met Met Met Met Met Met Met Met Met For Tables DDE names referring to fields stored in Method file tables met amp ux Imet events enable Row gt Imet events enable Row lt gt Imet events table Comment Imet events table Time Imet events table det EC Command Imet events table det EC dc Command 1 Imet events table det EC dc guard Command Imet events table det EC pulse Command Imet events table det EC pulse guard Command Imet events table det WL Command 1 Imet events table det WL Lambda 1 Imet events table flag in Code Imet events table flag out Code Imet events table oven Temp Imet events table pump Flow Imet events table pump Pct 1 Imet events table zone Code Enable Line No to 4 ecdc to 2 to 2 to 4 pumps Met Met Met Met Met Met Met Met Met Met Met Met Met Met Met Met Met For Tables Column heading or field label text for method file tables met lview met events enable Row ShortTitle lview met events table Comment ShortTitle lview met events table det EC Command ShortTitle lview met events table d
16. Acquire Reprocess and Summary 2 8 0 Reports Number of Reports per Method each Input 1 to 4 Maximum Number of Reports in Template Library Unlimited Report Generation Modes via interface with Microsoft Excel Manual Chromatogram Graphics Print functions 2 9 0 Files Handling System File Types Chromatogram PDF Method MET Integration INT Calibration CAL Sequence SEQ Report RPT XLS Excel Report Template XLS Excel Report Macro XLM 16 Data Ally Chromatography Manager User s Manual 3 1 0 CONTENTS LISTING Data Ally consists of the following Data Ally Software CD ROM Disk Data Ally Interface P1 Module Detector Input Cables mini phono plugs 2 cables 2 meter length Relay Flag Cables Twisted Pair 2 cables 2 meter length User s Manual Before beginning any installation procedure verify that all the components above are present and undamaged The computer requirement for installing and operating Data Ally is as follows Pentium processor or equivalent 400 MHz or faster Atleast 64 MB of system RAM memory At least 50 MB free hard disk space recommended One Free Serial Port 16550 Uart CD ROM Drive Microsoft Windows 95 98 or NT 4 0 Microsoft Excel Version 7 0 or latter required for report generation Data Ally is compatible with any printers or see your Windows documentation for a list plotters for which Windows of supported devices drivers
17. Data Ally Chromatography Manager Operators Manual 5 0 Configuring Data Ally Data Ally s Configuration capabilities constitute one of its most powerful and unique features With Configuration the system software can be personalized for any type s of applications or instrumentation Configurability makes Data Ally the first truly personal data system since it can be customized in any manner to the preferences of its operator s Use of configuration is normally recommended at the time of system installation 5 1 0 Configuration Files Every time the Data Ally software is loaded a Configuration file is automatically recalled from memory and used to structure the visual display screens of the user interface Each Configuration file is essentially a database filled with user specified settings and values for all parameters in the System These settings include names of instruments detectors program files and report templates as well as default values for numeric entry fields such as run time or slope sensitivity Configuration also includes any special software drivers needed to directly control specific instrumentation connected to each individual time base s Communications Processor At the time of installation generic Configuration files for the intended system types e g HPLC or GC will be automatically loaded so that you will not need to perform a configuration right away This allows you to use the system immediately and make
18. Edit TB2 16 2 96 Se dis A mg 100 0 Timebase amp run pl cut copy Paste BT Fu fine Uf ber Figure 10 5 AutoFilling Curve Fit Type You can change the FIT instructions for any peak s at any time after a Reference Table is set up and calibration data have been logged for those peaks Simply click on the FIT cell for the peak to be modified and type in the new FIT command code Press ENTER CTRL arrow or click inside any other cell in the table to make the entry see the results in the Plot window or on Cancel to abort the change If Cancel is selected the previous FIT command entry will be automatically restored Note that in Configuration each time base can be defaulted to only a limited number of curve fit options or to only a single option If one fit option only is permitted usually the FIT column will not be selected for display when configuring 10 2 1 3 Defining Calibration Basis for Each Peak Each peak in the Reference Table can be calibrated on either an Area basis the default or Height basis The basis can differ for any individual peak according to the code A or H placed in each peak s BASIS column gt To set the basis for any peak click inside the BASIS column cell in that peak s row and type in the desired basis code A or H 182 Data Ally Chromatography Manager Operators Manual If you wish to AutoFill the BASIS column values by Duplicating an existing entry or clearing a range of ro
19. Like all the other program screens its Command Menu is unique to the Graph screen It is used to manipulate and edit chromatogram data files to change the display and view parameters defining the current image to perform mathematical operations on chromatograms and to print the contents of the Graph portion of the screen The visible contents of the GRAPH screen depend upon the current Configuration file Elements of the display and of many of its associated command menus can easily be modified or hidden completely to customize the nature of the GRAPH display for the applications you are performing See Section 5 for a complete discussion of configuring the GRAPH screen if you wish to make any changes to the current appearance or features of this screen on a permanent basis you may want to re configure this time base to effect such permanent changes so that you will not need to reset any GRAPH screen parameters repeatedly 100 Data Ally Chromatography Manager Operators Manual The examples shown in the following sections illustrate a configured GRAPH screen in which certain elements have been modified 7 1 0 GRAPH Screen Commands There are three types of commands which can be executed directly from the Graph Screen Windows application control commands the Graph Command Menu Bar commands and the screen based commands which change the graph display using the mouse pointer 7 1 1 Application and Program Control Menu Commands T
20. Minimum Width The minimum number of points or minimum time value for the width of any detected peak at baseline Peaks which do not exceed this setting will not be reported The default range for minimum width is 3 points to 1 000 000 points This value can also be expressed as time in min or sec Minimum Area The area threshold which must be exceeded for a peak to be detected and reported The default range for minimum area is zero no threshold to 10 000 000 microvolt sec If this value is set at zero all peaks of any area can be detected and reported Drop Ratio The drop ratio parameter is not functional in the current version 9 1 2 2 How Integration is Performed When a chromatogram is integrated manually or automatically during Method execution a global integration algorithm is executed which makes use of the algorithm parameters found in the Integration screen dialog box The global integration process consists of three fundamental steps in which a chromatogram is scanned segments containing peaks are identified those segments are broken down into individual peaks and groups of peaks and finally coeluting peak groups are analyzed and their component peaks separated A brief description of the integration process is as follows 1 The chromatogram to be integrated is scanned and the highest signal value present is found and marked This point is assigned as the top of the highest peak The integrator then scans in both dire
21. Results Calib Filename Integratio n zm UV Vis uvdat uv int ea ECD ecdat ecd int s HPLC1 Calibratio pe I Lev Typ CNN THE HPLC1 EN N zi zi ms e D LJ Events Table Figure 8 1 Top Level Method Screen 8 2 1 Method File Identification The top bar of the Method dialog box shows the current Method filename A new name can be assigned by using the Files Save As command to resave the Method with a different name To make identification of Method files easier when selecting a Method using the Files Load command a description can be entered in the Save As dialog See section 8 5 3 below which will appear in the Load dialog box for each Method file The remainder of the top level Method is divided into four boxed sections which group items related to the same functions for Run Detectors Options and Results At the bottom of the screen is a large center button which switches the display to the Events Table portion of the Method 8 2 2 Setting Inputs Criteria The Detectors boxed area Figure 8 2 contains the names of all the active detector inputs which were defined for the current time base in Configuration Each detector name has an associated check box to its left which must be checked to enable acquisition from that input and a Resolution 140 Data Ally Chromatography Manager Operators Manual entry field to its right which contains the eff
22. Select the desired Integration file using the load dialog by path and name from any disk or device and click OK to enter it as the default all entry fields and configuration settings will immediately change to reflect those of the assigned file The color and or title of the PEAK TABLE button at bottom right can be modified by using the RIGHT mouse button to display the Button Edit Pop up Bottom Level Peak Table Setup When the top level integration configuration is completed proceed to the Peak Table by clicking the button marked Peak Table at lower right The Configuration Peak Table Window will be displayed Figure 5 57 HPLC1 lt lt Configure gt gt Method Peak Table default int RT ind Calib rnin Peak Name eae Utilities E tnd Ln oe Figure 5 57 Configuration Peak Table Window The Peak Table appears along with a Graph Window in a split screen view similar to that for the Method Events Table To set the Peak Table configuration first click anywhere inside the peak table window to make it active 74 Data Ally Chromatography Manager Operators Manual In the same manner as for the Events Table you should begin by determining if all the column items needed for your applications in this time base are present With the pointer on any table header button click the RIGHT mouse button to see the Table Button Edit Pop up exactly the same as that for the Events Table Click Enable Disab
23. Show Figure 5 37 Chromatogram Report Default Dialog 58 Data Ally Chromatography Manager Operators Manual This dialog sets the default Excel template file for printing chromatogram reports and the file name used for saving such reports which can be specific to each independent time base Use these settings only if you intend to print out special report formats routinely when manually producing hard copy chromatograms Click the down arrow button at the right of the Report Template field to see a complete listing of all the report template XLS files available in the current Data Ally REPORTS subdirectory If you wish to select one of these reports as the default highlight it and click the left mouse button If you want to omit any default for the report template type simply leave this field blank When you have made the desired entries click OK or click Cancel to escape without changes You have now completed initial configuration of the complete Graph menu which will be associated with the default Method file in this time base There is one other default setup task relative to the Graph screen the labeling and color of the Hold Clear and Monitor buttons at bottom right All Data Ally Softbuttons and display buttons can be reset individually and renamed as desired To configure the Hold button place the cursor on the button and click the RIGHT mouse button the button configure pop up submenu will appear Figure
24. Smp No Sample Number Hl cut Copy Paste HBB Fil Ins Del Calib Scre Figure 5 66 Column Selector Dialog for Calibration Data Table This table contains selected information about each standard sample used to calibrate the system providing a mechanism for reviewing pertinent data during routine calibrations You should select any or all of the parameters in the listing which will be of value in monitoring the quality of calibrations for your applications and which will help you establish an adequate historical record of series of calibrations as they are performed and logged There are a large number of descriptive parameters available and the table can be as wide or as large as needed or desired Parameter items which can be included in this table display include Area Area Percent Height Height Percent Level Calibration Level Dil Dilution Int File Integration Filename IS Area Internal Standard Area Method Method IS Conc Internal Standard Concentration Cg Filename Chromatogram Data Filename IS Height Internal Standard Height Date Date of Calibration Time Time of Calibration Area Area KC Polynomial Coefficients KB Polynomial Coefficients KA Polynomial Coefficients Conc Concentration Height Height RF Response Factor RT Retention Time Run Date Run Date Run Time Run Time Smp Desc Sample Description Smp Name Sample Name Smp No Sam
25. These should be set only if your applications in this time base will require frequent use of the same sample descriptors otherwise it will be easier to make these entries as needed while processing chromatograms Any entries made here in the Report Template Name or Report Filename fields or the Print Show checkboxes will be used as the defaults for this dialog in the current time base when the default Method is loaded This allows you to specify the type of reporting to be done for any chromatogram or sample as the default To select a default report template from any selection of XLS report template files in the Data Ally REPORTS subdirectory click on the arrow button selector at the right side of the Template field to see a listing of all such template files Figure 5 19 click on the filename desired as the default if any 47 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt 71 File Edit Math Display View Print Graph c pyramid alis60 pdf 4l Analyze Correction Factors Internal Standard Amounts gt Dilution IS1 O E Report Template Filename Print Show E L a4full xls areapct xls G Igifulll xls SiS Igifull xis L Figure 5 19 Selecting Default Report From Existing Template Files During actual operation Data Ally will capture all other sample specific information in this dialog from the Method program itself or from individual chromatogr
26. This License Agreement is your proof of license to exercise the rights granted herein and must be retained by you You may not rent or lease the Data Ally software but you may transfer your rights under this Agreement on a permanent basis provided you transfer this License Agreement the Software its accompanying hardware and all accompanying written materials and retain no copies and the recipient agrees to the terms of this Agreement You may not reverse engineer decompile or disassemble the software or modify the program code in any way without prior written consent from SSI Distribution Any transfer of the software must include the most recent update and all prior versions This License Agreement shall be construed interpreted and governed by the laws of the Commonwealth of Pennsylvania If any provision of this Agreement is found void or unenforceable it will not affect the validity of the balance of the Agreement which will remain valid and enforceable according to its terms If any remedy provided is determined to have failed its essential purpose all limitations of liability and exclusions of damages set forth in the Agreement shall remain in full force and effect This Agreement may only be modified in writing with consent of an authorized officer of SSI Distribution Use duplication or disclosure by the United States Government of the software and documentation in this product shall be subject to the restricted rights applicable to
27. This figure may not be used in the main report but may be accessed for special calculations 164 Data Ally Chromatography Manager Operators Manual The Unretained Peak Parameters are RT The actual retention time for the Unretained Peak A value should be entered here if the unretained peak was not integrated in the chromatogram or a specific retention time is required for the calculations NameThe Name of the Unretained Peak if desired will be placed in the system suitability report Note Do not enter a RT or a Name here if a K is used to mark the Unretained Peak in the Peak Table or vice versa System Suitability calculations may be performed on any peaks in a chromatogram Normally peaks will be baseline resolved to obtain meaningful results With Data Ally only selected peaks may have system suitability calculations performed on them Normally at least two peaks will be selected to enable all parameters to be calculated In addition the unretained peak should be identified in the Peak Table if available or in the Column Parameters section if a specific retention time is required gt To Program System Suitability Codes Enter a S in the Suit Code column for each peak to have System Suitability Calculations performed on it If the Unretained or Ko has been integrated place a K in the Suit Code column corresponding to the peak If the Unretained peak has not been integrated the retention time and name may be inserted in
28. When the Method DURATION is finished the run will stop and the green RUN button will reappear on the left switchbar The active run indicator will disappear from the top bar The chromatogram file s will be integrated and analyzed automatically if specified in the Method If multiple chromatograms are to be integrated and analyzed the first file will be handled with the current Integration and Calibration screens and then the next file will be integrated after loading its specified Integration file from the Method Any reports specified in the Integration files being used for the Method will be shown on screen or printed via Microsoft Excel following the completion of analysis of each file Note that at the completion of each run all chromatogram files are already saved to disk They will be named according to the instructions in the Method if any before the Method ends After RUN is pressed to begin a run the RUN SoftButton will be redrawn as a STOP button You can click the STOP button at any time to abort the run If you abort a run before the DURATION time of the currently loaded Method is completed you will be prompted as to whether or not you wish to save the incomplete data file now written on the disk and whether you wish to make reports using the partially acquired chromatogram If you indicate yes you will be asked to assign a file name for each captured input signal you wish to save 138 Data Ally Chromatography Manager Ope
29. alibratio defa a vis Calibration Description Clear Calibration pme default cal Cure Type Def IX Linear Regression Def Print Calibration C Def IX Linear Regression through Zero C Def Setup Calibration Indards 1 Quadratic Def X Quadratic through Zero C Def Basis IX Point to Point C Def E Area Def IX Point to Point through Zero CDef Ix Height C Def Correction Factors Ix Dilution T Weight Injection Volume Figure 5 60 Calibration Default File Submenu Click on Calibration Description and enter the desired text description of any length into the Description dialog entry field click OK when complete To assign an existing Calibration file on disk as the default file for the current time base click File in the top command menu bar and select Assign File to see the Assign Default Calibration File dialog Figure 5 61 Figure 5 61 Assign Default Calibration File Dialog Choose a Calibration file from any disk or directory using the selector dialog and click OK the selected file will be loaded into the default register and its configuration will update the previous configuration for calibration If you like you can use the Button Edit pop up accessed with the RIGHT mouse button to change the label or color of the Calib Tables button at bottom right however this button will not appear in the operating software and exists in Configuration
30. checked in this menu to remove the traces click on Pump Traces again and click to uncheck each item Swap Swap shifts all loaded chromatograms in the current Graph window into the next forward register with the previous foreground chromatogram being moved into the last register Repeated use of Swap will place any chromatogram in the stack into the foreground position for editing operations The alternative to Swap is to drag the chromatogram filename icons into the desired positions gt To swap the second register chromatogram into the foreground register click on Swap Data Ally Chromatography Manager Operators Manual 7 6 3 Status Box The Status box is a powerful and flexible tool which can provide much additional information about the course of a running Method in real time or assist you with editing functions while the current channel is idle Using this command will place a status box window on the active Graph windows and in all program windows in the current channel which contains only the items you select from a configurable listing of many system and computer parameters The status box can be moved to any position on the display for maximum convenience When the Status Box is placed in the Graph screen in any channel it will automatically also appear in all other program window screens in that channel It is possible to disable the appearance of the Status Box in any or all program windows using the Options Status comma
31. color setting clicking the left mouse button on the sample field for that item a color palette will pop up showing the selection of possible colors Select the desired color by clicking on it The selected color box in the palette will have a dark outline drawn around it Repeat the same process to reset the colors for additional items in the listing When you are finished click on OK You can change any of the colors assigned to loaded chromatogram traces by clicking on the right arrow in the Traces selection field and highlighting the desired trace name to find and edit its color System colors can be changed for each Graph window independently and can be modified while any window is running or idle Colors for SoftButtons program screens and other Data Ally graphics must be changed in Configuration for each channel or via the Windows Program Manager Control Panel 127 128 Data Ally Chromatography Manager Operators Manual Offset The Offset command is used to move the apparent position of any chromatogram in the active Graph window in the signal dimension only You must use the Math Move command to displace chromatograms in the time dimension Offset performs the same function which can be done by double clicking on any chromatogram filename icon and then dragging the chosen trace to a new position directly on the screen HPLC1 lt lt Ready gt gt Edit Math Display View Print Graph cApyramidipdfimanh p36 pdf Display O
32. how to work with various program windows and dialog boxes how to move and resize objects on screen and how to use the mouse 4 1 0 Menus and Commands To tell Data Ally what to do you can choose various types of commands from menus or by using buttons You will use three types of command menus the Command Menu Bar commands listed horizontally along the top line of each screen pull down menus which are usually hidden from view but are made accessible by selecting the root command item from a Menu Bar and the vertical row of SoftButtons at the left edge of all channel display screens HPLCI lt lt Ready gt gt File Edit Math Display View Print IE Figure 4 1 Command Menu Bar for Graph Screen Command items found in top of screen Command Menu bars Figure 4 1 generally perform global functions related to the type of screen being displayed Pull down menus or submenus are associated with each Command Menu Bar item are displayed by selecting a Command Menu item click on it with the left mouse button and usually contain a set of related functions Figure 4 2 HPLC1 lt lt Ready gt gt File Edit Mat AIBA View Print Attributes Help Colors Offset Graph Scaling Split Status Swap Monitor TimeBases Millivolts Figure 4 2 Pull Down Display Menu for Graph Screen The left screen SoftButtons which are always visible and accessible from any part of the software are use
33. its Integration screen will display the contents of the default Integration file which has been defined in Configuration using the default file name If you wish to change any of the information in the Integration screen you can save the modified Integration file using the same default file name or as a new file with any desired file name The extension for filenames of all Integration files is always INT only INT files will be shown in the Integration file directory system and only INT files can be loaded into the Integration screen Descriptions of Integration files can be entered at the time the Save As command is used see Section 9 3 3 9 1 2 Integration Algorithm The center portion of the top level Integration dialog box is portioned into three boxed sections The section on the right labeled INTEGRATION ALGORITHM lists a series of entry boxes for the values of each of the integration algorithm settings Figure 9 2 When the default Integration file is loaded the values shown in these fields are those assigned as defaults in Configuration They can of course be changed in any way by directly entering new values or by replacing existing values during manual integration in the Graph screen which causes the current entries in the ALGORITHM PARAMETERS box to change accordingly NOTE You may click on Automatic to have the software try to determine the appropriate integration parameters If you are not satisfied with the results
34. m Swap oss Monitor TimeBases sequence Calib Utilities 1 Millivolts Figure 7 31 Graph Display Submenu Commands 7 6 1 Display Attributes Attributes settings modify the type of graphical information shown in the current Graph window and provide a wide range of flexibility As an example in certain instances only some types of information may need to be displayed describing the integration of the loaded chromatogram so it may be desirable to turn off baseline markers peak names and 125 126 Data Ally Chromatography Manager Operators Manual retention values Disabling such selected data from the Graph can be done via the Attributes table S To change current Graph Attributes click on Display Attributes to see the Attributes dialog box Figure 7 32 Any combination or all of the following items can be checked enabled to place each checked item on the display whenever it is appropriate unchecked items will never be displayed HPLC1 lt lt Ready gt gt File Edit Math Display View Print Hep E gob clpvramidin dai Display Attributes Baseline IX Show IX Marks IX Codes Peaks g X Names T Cg Above Baseline IX Numbers Show R Retention Times IX Zone Codes Figure 7 32 Graph Display Attributes Dialog Fill Above CG This fills the display with a color above the foreground chromatogram trace The color used can be modified with the Display C
35. or global window and a Peak Table window which are set up independently Top Level Screen Setup Default Filename At top left click inside the NAME field box and enter the filename eight characters maximum for the default Integration program file if you do not wish to use the already assigned name default int The name extension int will be added automatically which designates all Data Ally Integration files Alternatively you can use the File Assign Integration command in the top command menu bar to use an existing Integration file already on disk as the new default file in this time base see below Algorithm Parameters This boxed area at left contains a series of fields comprising the peak finding algorithms used for automatic chromatogram integration When shipped the initial default int file includes values in each of these fields which may or may not be suitable for the types of chromatograms or applications to be run in this time base You can click inside any of these fields and type in a new value with or without a new units designator if the units designator is different from that shown in the gray box to the right of each field the gray box will change to reflect the new units when you press ENTER or click inside another field after completing your entry Note that if you have already entered or modified the integration algorithm fields in the Graph Edit Integrate dialog in Section 5 3 above those default values w
36. select the specific template file then PRESS AND HOLD DOWN THE SHIFT KEY and 228 Data Ally Chromatography Manager Operators Manual simultaneously click on OK or double click on the template filename The template file selected will appear showing the Excel worksheet Figure 14 2 Note that it is important to hold the SHIFT key down while opening template files so that the Auto Open macro which normally generates the report during the running of Data Ally will not execute now and thereby corrupt the template you expect to modify If you accidentally open a template without using the shift key simply close the template answering no to the question Do you want to save it Then open the template as described above Any of the XLS template files in these directories can be recalled viewed and edited Microsoft Excel a p70 ps rre sra s EACHACH pyramid reports c ms dos 5 List Files of Type Microsoft Excel Files _xI 4 SS LT e n m 9 oer apes Iws Sans Serif IE 3 4 5 25 SAMPLE NAME pdf sample Name RUN DATE Ipdf run Date 26 RUN TIME Ipdf run Time 27 DATA Ihdr Filename 28 METHOD Ipdf met Filename DESCRIPTION Ipdf met Description 29 NTEGRATION pdfintFilename DESCRIPTION Ipdfint Description 30 SEQUENCE Ipd f seq Filename DESCRIPTION Ipdf seq Description B 31 CA
37. value corresponding to the number of existing rows to be filled with duplicates All other fields and options should be blank off If the number of steps exceeds the number of blank rows in the column the Allow Insertions box must be checked to add sufficient rows to meet the No of Steps criteria 2 To fill information from the current Method into a column for the entire table click on the desired column header button or move the edit highlight into that column click FILL to see the AutoFill dialog select Fill From Method Start of Table and End of Table leaving all other fields and options blank off If the Allow Overwrites box is checked any existing values in the selected column will be replaced by newly filled values from the current Method 2 To fill information from the current Method into a portion of a column click on the desired column header button with the edit highlight in the first row to be filled in that column click FILL to see the AutoFill dialog select Fill From Method Current Cell and End of Table and set the number of rows to be filled with the value from the current Method as No of Steps If existing row values are to be overwritten you must also check the Allow Overwrites box If the No of Steps entry exceeds the number of existing blank rows to be filled the Allow Insertions box must be checked in order to automatically add sufficient new lines to meet the No of Steps filling crite
38. 3 5 Manual Chromatogram Analysis After you have integrated a chromatogram you can manually create and see any type of result report via the Analyze command When Analyze is used the currently loaded Integration program is used to identify peak components the Report Template you select from the Report Library if any is loaded by the system and filled in with the result data from the chromatogram If the report chosen includes quantitative results the current Calibration file will be employed to compute and show those results Reports can be shown on screen printed out in hard copy or saved as report files for later recall 117 Data Ally Chromatography Manager Operators Manual 2 To Analyze an integrated chromatogram to see results or get a report click on Edit in the Graph Command Menu bar and then on Analyze The Analyze dialog box will appear Figure 7 21 The dialog box includes four types of information the Correction Factor fields as are configured for the currently loaded Method for entry of sample specific data relevant to the report the Internal Standard concentration values for up to five peaks as configured sample information as configured such as name and number and a Template Save File Selector allowing a choice of any report format from the current report template library and setting a filename for any saved report A set of XLS report template files are available for printing via Microsoft Excel which can be ed
39. 3 Editing Individual Standard Points essent nenne 198 10 3 4 Changing the Calibration Curve Fit ssessseeeeseeeeeeeneeenee nennen nennen nennen nennen 199 10 3 5 Changing the Calibration Basis sess enne nennen trennen nennen 200 10 5 0 Working With Calibration Files esee eene neen trennen ne en nein enne 200 10 5 1 Loading Calibration Files enm eere pee rer peers 200 10 5 2 Clearing C alibrations e Rete e pre tor ed i Susu e TR 201 10 5 3 Saving Calibrations sete eU e beet PER 202 10 5 4 Deleting CaliDrations 1 tr prete PE DRE RE RT PEE 203 10 5 5 Printing Cahbrations 2 ce mrt re PERRA Tree e EEEE T ESTEET EEE EE 203 11 0 Running and Reprocessing Batches The Sequence Screen sessseeeeeene 204 11 1 0 Sequence Screen FUnCtHONS eseese oorsee eene enne eene enne teneret trennen reete 204 11 2 0 Top Level Sequence 2 enn Re AS RAS ee bip ESI 204 11 2 1 Operating Modes tee osasgpo ho peret ette pide emere pedis 205 11 3 0 Sequence Table ttr pee ep i e ee et Met iptteda ete E Ee eee Be ees 206 11 3 1 Sequence Table Functions eect ett IRE ER EO EUR ice ETE onions edie 206 11 3 2 Sequence Table Columns eese nennen enne enne tren trennen reete R oi 208 11 3 3 Fill E nctions itr te reet Rr te ECT P Fr R UI EE CREE TEE Ee EEr 210 11 40 Rumania Sequence sin Remo ie Ren le IR irte iun isst tcu isset eder
40. 7 2 1 1 Clearing Chromatograms The Clear command clears removes a single chromatogram or all current chromatograms from the displayed stack gt To clear a chromatogram file click on Files Clear with the left mouse button to display the Clear Files dialog box Figure 7 8 A listing of files currently loaded into defined stack register positions will be shown Use the left mouse button to check or uncheck the file s to be cleared or check the All box to clear all displayed files Once the desired files have been checked click on OK to execute the clear and remove the files 105 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt File Edit Math Display View Print Graph cApyramidipdf987 571 pdf Clear Chromatogram Files pd987 571 pdf pd987 571 pdf Figure 7 8 Files Clear Dialog If files loaded into registers which are not listed in the dialog box are to be cleared you can use the filename icons or the Display Swap command to shift the positions of those files in the stack so that they can be accessed using the Clear dialog box When clearing any chromatogram file s which have been altered in the Graph screen a message will appear prompting you to save all such files before they are cleared This is intended to prevent any unintentional loss of file editing information 7 2 1 2 Deleting Chromatograms The Data Ally software does not support direct raw data file deletion
41. Ally is initialized You can change any aspects of the default file including its Events Table within the active software except for the features and options which are either fixed or temoved in the Configuration These items can of course also be reset or restored but the channel must be disabled and a re Configuration performed to accomplish this The Files commands in the Method Command Menu bar Figure 8 8 are used to load save clear and delete Method program files HPLC1 lt lt Ready gt gt File Load Method Method default met read only Load Default default met DE Method Description LN Ix UV Vis Ix ECD Clear Method Save Method As Print Method Figure 8 8 Method Files Commands Submenu 8 5 1 Loading Methods gt To load a saved Method file from disk memory into the current channel click the left mouse button on Files in the Command menu bar and then click on Load A directory dialog box will appear Figure 8 9 which lists the Method files MET available in the current directory path for this channel If any Description has been entered for individual Methods this information will appear at the bottom of the directory dialog Select the desired disk path and file by clicking on the desired list items or by typing the path filename directly into the entry box Click on OK to load the new file 154 Data Ally Chromatography Manager Operators Manual HPLC
42. Ally unit should be listed as Drivers by brand and model under each component type If control interfaces you have ordered do not appear in the listing contact your distributor for further information In some cases a particular instrument can use a driver protocol originally intended for a different instrument Clicking SETUP from the Components Setup screen for specific instrument brands or models added to Configuration will often show unique Setup dialog boxes reflecting the independent parameters required to define and operate each instrument interface All setup dialogs permit the recording of basic items such as brand model S N instrument number and description Data Ally Chromatography Manager Operators Manual You are not required to select nor complete the setup dialogs for any specific instruments you may be using with Data Ally It is best to configure only those for which you wish to perform direct programmed control and those whose function and presence in the analytical system must be thoroughly documented Even if your Data Ally software includes control drivers for one or more specific instrument types you do not need to configure and use them in order to actually run Data Ally When you are completely finished selecting and setting all configured elements objects and instruments click OK in the Components Setup dialog to return to the main Configuration Window Figure 5 2 5 2 6 Program Screen Options Menus and Default
43. DESCRIPTION field and typing in the description as needed Descriptions will appear on the Files Load dialog box as well and are useful for identifying the source and nature of your saved files 107 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt it Math Display View Print Granh rAnvramidindf487 h71 ndf SAVE CHROMATOGRAM FILE File To Save c pyramid pdf 987 571_ pdf Save As File Name Directories c pyramid pdf 987 571_p c pyramid pdf E c pyramid pdf List Files of Type Drives Chromatogram Data File 3 c ms dos 5 2 Description Figure 7 10 Files Save As Dialog The Save All command differs from Save As in that all files in the current Graph window are saved using their existing filenames If a Save As or Save All command will overwrite an existing chromatogram file a trap dialog will appear Figure 7 11 HPLC1 lt lt Ready gt gt dit Math Display View Print Granh cinvramidindiq87 h71 ndf SAVE CHROMATOGRAM FILE File To Save m As File Name Directories 987 571 987 571 pa c pyramid pdf SAVE CHROMATOGRAM FILE CAPYRAMID PDF 987 571 PDF This file already exists Replace existing file List Files of Description Figure 7 11 File Overwrite Trap Dialog Whenever a chromatogram file is saved all current baseline marker codes and zone codes will also be saved as p
44. Def IX Area Def IX Point to Point through Zero C Def IX Height C Def Calib Correction Factors Dilution l Weight Injection Volume Utilities HPLC1 Timebase HPLC1 dit ES Em E ES Ea pus Calib Tables a El Figure 5 59 Configuration Calibration Window The Calibration Default screen contains two general levels a top or global window which sets overall options and defaults and a lower table level which accesses and sets formats for both types of tables incorporated into the normal Calibration window Top Level Calibration Functions Default Calibration Filename Click inside the NAME field and type in a new filename to be assigned to the default Calibration file which is loaded when the current time base is initialized or use the standard default cal name The name extension cal will be added automatically Alternatively you can use the File Assign function to denote an existing calibration file as the default file and format On the left side of the screen in the area marked Standard Type the types of calibrations available for the current time base are specified by clicking on the check boxes to check the options which are to be enabled Click also on the Def button corresponding to the option to be defined as the default If no internal standard calibrations are to be performed for any applications in this time base simply leave the Internal type box
45. E P enne ennt te rentre trennen trennen 128 Figure 7 35 Display Scaling Dialog tret tree tee e e rie RR ete bre TEASE EE 129 Figure 7 36 Pumps Scaling Dialog eo ost Utere n gere tet elit ssec ito deste te te eoi va 129 Figure 7 37 Display Submenu with HPLC Pumps essere enne nente tenete trennen nen 130 Figure 7 38 Setting Pump Trace Plotting eseessssssssesseeeeeeeerene enne ener tene nennt en nene et 130 Figure 7 39 Display Status Dialog sees comete pne Meiste etiem SoS E os 131 Figure 7 40 Status Box Enabled in Graph Window sess nenne entren nennen 132 Figure 7 41 Monitor Time Bases Screen Display eese enne nenne trennen 132 Figure 7 42 Print Commands Submenu esee eene rennen eret tree tren teen tren teen 133 Figure 7 43 Chromatograms Print Dialog sess nee neen rennen nete tenete trennen een 134 Figure 7 44 Printer Setup Dialog s iU oo Epp Reed E RO 134 Figure 7 45 Print Options Dialog coe Doe eR Ope a ate deste RD ecd 135 Figure 7 46 Printout Info Dialog iisen orisni icere ieee eeii nennen rene enne ee Eeo E Iie aeres trennen 136 Figure 7 47 Print Report Dialog oo eee a a r a a E E a a nne 136 Figure 8 1 Top Level Method Screen neenon ete pt Hte ree treten tet TESES 140 Figure 5 2 Detectors Setup Fields eee denen enden 141 Figure 8 3 Sample Information Dialog eese eene ene enne ene netene tene
46. File Component Configuration pyramid cfg Set System Set Description Figure 5 5 Entering Time Base Description 5 2 2 Configuring Signal Inputs If you will be connecting analog detector signal inputs to the Communications Processor for this time base click on Det1 Input in the Component List dialog Figure 5 3 to highlight it Click again on the SETUP button to display the Analog Input Setup dialog Figure 5 6 HPLC1 lt lt Configure gt gt File Component Help B Configuration pyramid cfg Grapt Set Components Analog Input Name oer Hardware Interface Module 1 Input Signal A Figure 5 6 Analog Input Setup Dialog Box 38 Data Ally Chromatography Manager Operators Manual The Analog Inputs Setup box is used to set up each detector input You can define a maximum of two different analog inputs for a single time base Again this setup can be done while configuring either the live time base or its associated editing time base all entries will appear the same in both time bases Click inside the Name entry field and type the desired name for this detector up to eight characters long only six characters maximum will be shown in some locations in the software You must enter at least a single character name for any defined input This name will be used for labeling all Data Ally functions displays and reports which reference this detector Normally the name selected shoul
47. Graph Screen sesssssssseseeeeeeeerenee enne nennen nennen 253 Figure 15 6 Integration Peak Table with Peak Spectra Column eee 255 Figure 15 7 Top Level Method Screen for PDA with four individual channels available 255 Figure 1 System Security Startup Greeting Dialog essere nennen nennen 257 Figure 2 System Security menu items Edit Users amp Logon seseseeeeeeeneeeeen nennen 257 Figute 3 Set Users Dialog oat Eee elei RUE RU te HAURIRE 258 Figure 4 Edit Users Dialog cote de eire sue eaS EE rele e dere Eid te este pesi qe ete bein 258 Figure 5 User Access Rights Dialog sensie eaa eR e nennen nennen rennen emet ne tenete trennen 259 Figure 6 Set Access Role Dialog eter dre tiere CREE et etas 259 Figure 17 9 Communications Error Information Message sssesseseeeeeeeeneeneeneeenee nennen nennen 264 Figure 17 10 Removing Driver Lines in SYSTEM INI File eese nennen 265 Data Ally Chromatography Manager User s Manual License Agreement You have purchased Data Ally Chromatography Manager and agree to the following terms The Data Ally software is owned by SSI Distribution Inc and is protected by United States copyright laws and international treaty provisions You are permitted to make backup copies of the software for your own use You may not copy the written materials accompanying the software
48. If the basis row is the first row in the column you can select Start of Table instead of Current Cell without highlighting the basis row S To fill an existing row s value into all currently empty rows in the entire column place the edit highlight on the basis row click FILL to see the AutoFill dialog select Duplicate Current Cell and End of Table with all other fields and options blank off gt To fill an existing row s value into more or less empty rows than the number of empty rows found in the current column up to the next entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Duplicate Current Cell and To Next Entry Type the actual number of empty rows to be filled into the No of Steps column with all other fields and options blank off If the No of Steps value exceeds the number of actual intervening empty rows sufficient new rows will be added and filled to meet the No of Steps criteria S To fill all currently empty series of consecutive rows in the column with the values found in the rows prior to each empty group of rows click FILL to see the AutoFill dialog select Duplicate Start of Table End of Table and Allow Progressions with all other fields and options blank off S To overwrite existing values along with any blank rows with duplicated values in an entire column place the edit highlight on the basis row for copying click FILL to see t
49. Next click on the Device Manager Tab Click on the Properties Button Click on the input output radio button You should see a dialog box like the one shown below You may scroll the list up and down to see if any devices are shown as using 300hex or 301hex Computer Properties i2 x View Resources Reserve Resources WP D ML C Interrupt request IRQ Direct memory access DMA input output 0 C Memory Hardware using the setting Primary IDE controller single fifo Standard Bus Adapter Mouse Communications Port COM2 In use by unknown device Printer Port LPT1 Standard Display Adapter VGA Printer Port LPT1 TW CAMERE Atl a AH TY Important Note Regarding Windows 95 Installation Error 470 When installing The Data System software onto a Windows 95 you must run the Setup program on Disk 1 after starting Windows It is important that you not run any previous version of the Data System software after re booting the computer and before installing the new version of software If this procedure is not followed an Error 70 message will be encountered when the installation program attempts to install the file named PYRXFR32 EXE The reason for the error is whenever you run the Data System software Windows 95 determines that Excel owns the current copy of PYRXFR32 EXE and will not allow it to be replaced until the system is re booted and prior to the Data System software being executed G Lit Manuals
50. Number of zone codes per Method Unlimited Automatable Method Functions File saves for all inputs Integration for all inputs using unique programs Calibration for all inputs using unique programs Report Generation and saving 2 5 0 Integration Peak Identification Number of Integration Programs Unlimited any path combination with one default Maximum Number Peaks in Peak Table Unlimited Automatable Integration Functions Slope Sensitivity Slope Calculation Interval Baseline Drift Sensitivity Area Threshold Height Threshold Peak Width Threshold Automatable Peak Finding Functions Absolute Retentions Absolute Retention Windows 2 6 0 Calibration Number of Calibration Files Unlimited any path combination with one default Maximum Number of Entries in Calibration File Unlimited Maximum Number of Levels per Calibration 16 Calibration Type Options External Standard Internal Standard up to 5 different IS Area or Height Basis for any peak Curve Fitting Types Available Linear Linear Force Through Origin Quadratic Quadratic Force Through Origin Interpolated Interpolate Extrapolate Through Origin Other Calibration Options Manual Pass Fail of Individual Calibrations Omit Replace Entire Level 2 7 0 Batch Operations Number of Sequence Programs Unlimited any path combination with one default Maximum Number of Injections per Sequence Unlimited 15 Data Ally Chromatography Manager Operators Manual Processing Modes
51. Opis iss ii rete o eet ipee ede e te e epe eed dede 226 14 0 Reporting with Microsoft Excel eeseeseeeeeeeeseeee eene nnne ener nee entere tenen rentre trennen 228 14 1 0 Using Excel to Review and Edit Report Templates essen 228 14 1 I Loading Excel nhe tre ete teet ere hee ipee rele te ipei prit hune 228 14 1 2 Opening An Existing Report Template File sese 228 14 1 3 Elements of a Report Template File miremos aea ee S EE E nennen nennen rennen 229 14 20 Excel Basics notera het e etis etse tea Me edges 230 14 2 1 Changing Column Widths and Row Heights eese rennen 231 14 2 2 Changing Contents of a Single Cell essent eT SEEST nennen enne 231 14 2 3 Moving Data From One Cell To Another nennen nennen rennen 231 14 2 4 Using The Name BOR oein neis Un Ree p ee E Rp eU mer tuii raus 231 14 2 5 Using the Define Name Dialog Box nennen nennen rene emnes 232 14 2 6 Inspecting Defined Names Used in Report Templates sese 232 14 3 0 Modifying Existing Report Template Styles sseeeseeeeeeeee eene nennen 233 14 3 1 Modifying A Template Paper Size ssssssseeeeeeeneeeeneeeenee nennen nennen rennen ene 233 14 3 2 Placing And Formatting Report Headers seen een eene 234 14 3 3 Placing And Formatting Page Headers Using Print Titles sese 234 14 3 4 Placi
52. Print Show a tu eC 3 3 Eis X Enable HPLC1 Timebase rama a Figure 5 43 Method Reports Default Dialog To set reporting capability for any individual detector input first click the ENABLE check box to check it The number of reports selector buttons will immediately become accessible as shown in Figure 5 43 Now click on the button corresponding to the maximum number of reports you wish to be able to produce during method execution for the current detector input 1 to 4 Immediately after clicking on the desired number that number of individual report fields will become enabled in the bottom portion of the dialog Now click inside each of the check boxes corresponding to the individual report designator fields to check the number of reports rows you wish to be active for this detector in the default method You can also click inside the Report Template and or Filename fields to enter Excel template filenames and or saved report filenames respectively as defaults In the Template field you can click the right mouse button to see a pop up listing of all report templates provided with your Data Ally system from which you can select a template for any row of course you can add new or modified report templates to the default method at any later date once they have been created If you leave these fields blank for any or all lines you will need to make entries before you can use the automatic r
53. Ready gt gt Bg Hay View OOO Pyramid hep FEH Sr File Edit Bookmark Help k Type a word or select one from the list Then choose Show Topics Injs per Sample Figure 3 3 Help Search Dialog The top portion of this dialog contains a selection box which pages down through all the listed Help topic headings in the Help system alphabetically Scan down through the listing to find the desired heading and click on it to highlight it will appear in the upper entry box Alternatively click inside this box and directly type in any topic description in which you are interested To see the list of associated items with each topic click the Show Topics button and such a listing will appear in the lower list box in the window You can now highlight any item in the sublisting these are the specific items in the Help system and then click the Go To button to see that specific Help window with a detailed explanation Click Close if you wish to close the dialog and escape To step back to the last Help window topic viewed before the currently displayed topic click the Back button on the top 224 Data Ally Chromatography Manager Operators Manual To view a history of all recent Help topic windows you have viewed in order click the History button a Help History window Figure 13 4 will appear This window lists in descending chronological order all the recent screens and items you have viewed HPLC1 lt lt Ready gt gt File
54. Tables DDE names referring to fields stored in Calibration file tables cal Ical peaks enable Row gt Enable Ical peaks enable Row lt gt Line No Ical peaks table Basis Cal Ical peaks table cal Mode Cal Ical peaks table Conc 1 to 16 levels Cal Ical peaks table Fit Cal Ical peaks table is Number Cal Ical peaks table Name Cal Ical peaks table RT Cal Ical peaks table Unit Cal Ical points enable Row gt Enable Cal Ical points enable Row lt gt Line No Cal Ical points table cal Level Cal Ical points table correction Dilution Cal Ical points table correction InjectionVolume Cal Ical points table correction W eight Cal Ical points table int Filename Cal Ical points table is Area Cal 236 Data Ally Chromatography Manager Operators Manual Ical points table is Conc Ical points table is Height Ical points table met Filename Ical points table pdf Filename Ical points table process Date Ical points table process Time Ical points table results AdjConc Ical points table results AdjResp Ical points table results Area Ical points table results AreaPct Ical points table results Coefficients 1 to 3 coeff Ical points table results Conc Ical points table results Height Ical points table results HeightPct Ical points table results RF Ical points table results RT Ical points table run Date Ical points table run Time Ical points table sample Description Ical points table sample Name Ical points table
55. The result chromatogram is drawn using a different color trace and is labeled Sum If the result chromatogram is to be saved it can be renamed as desired and saved as a new file using the Files Save As command or it can be automatically saved via the Result command below 2 To add two chromatograms click the left mouse button with the cursor on the Math Add command The first two chromatograms in the stack will automatically be added and the result displayed as a new chromatogram named Sum If there are no stack register positions available in which to place the result chromatogram an information box will appear when Add is initiated advising that at least one file must be cleared from the stack before addition is possible e Subtract Subtracts the chromatogram in the second register from the chromatogram in the foreground register and places the difference chromatogram into the next available open 122 Data Ally Chromatography Manager Operators Manual register in the stack The difference file can then be saved with any desired file name or used for additional math operations gt To subtract two chromatograms click the left mouse button on the Math Subtract command The first two chromatograms in the stack will automatically be subtracted and the resulting difference chromatogram will be displayed as a result named Diff in the first available stack position If there are no open stack positions in which to place the result chro
56. Timebase Figure 5 21 Integrate Default Dialog This dialog can be used for manually integrating loaded chromatograms once the required algorithm parameters have been entered in the appropriate fields You can click inside any of the parameter fields in the dialog and type in a suitable value these entries will also appear in the Integration screen configuration dialog below If you have already completed the Integration Configure dialog the corresponding algorithm values entered there will appear in the same field locations here See Section 8 below for a complete explanation of the meaning and interpretation of these parameters Checking the View Only checkbox will default to manual integration of the current graph view of the foreground chromatogram only If you wish to perform primarily global integrations entire chromatograms leave this box unchecked in this dialog When all settings are as desired click OK to close You can experiment with trial parameter settings to determine the best values if you have loaded a typical chromatogram in the Graph window Each time you click OK the system will attempt to integrate the current foreground chromatogram as specified Configuring Default Graph Display Functions Now set the Graph Display default parameters by clicking Display on the top menu bar to view the Display submenu Figure 5 22 49 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure
57. You can move the mouse pointer over any cell and click the left mouse button to place the insertion point in the cell which permits editing its contents A range or series of cells can be selected by clicking the left mouse and holding it down as the pointer is dragged across a series of rows and or columns to highlight a range Excel draws a solid border line around the selected cell range to make it visible This temporary border will not be visible on the printed report Menu item Format Borders And Shading is used to create borders and patterns that will print 230 Data Ally Chromatography Manager Operators Manual 14 2 1 Changing Column Widths and Row Heights The width of columns and height of rows can be changed in two ways Move the mouse pointer in the worksheet over the top column button with the column number or onto the left edge row button with the row number which is to be resized When you move the pointer over either edge of the column or row button the pointer will change to a split horizontal column or split vertical row arrow Hold down the left mouse button and drag the edge of the button in either direction to make the button and the attached row or column larger or smaller The entire column or row border will be redrawn to follow the button dragging When the desired size is obtained release the mouse button and the worksheet will be redrawn Select the desired column or row or range with the mouse po
58. a window showing one portion of the overall software settings utilized in and associated with the current channel The contents of the Integration screen are in two sections the so called top level dialog box which includes global parameters and the Peak Table which comprises a listing of assigned peaks and their identification criteria Both sections are contained in a single Integration program file The values associated with each of the Integration screen fields have defaults which are set during Configuration Also various options can be enabled or disabled in both the top level dialog box and the Peak Table based on the Configuration Each user can modify all parts of the Integration program screen and save as many modified versions as desired as unique Integration program files which have the file extension code INT To distinguish Integration files appropriate for one configured channel from those for a different channel each channel usually employs a separate directory path for archiving of its program files that path being assigned during Configuration Since the parameters associated with the Integration screen and its Peak Table are essential for identifying peaks all Data Ally Calibration files are constructed based upon already defined Integration files Therefore a valid Integration file and Peak Table must always be generated for a given chromatogram type before any calibration and quantitations can be done One Integrati
59. a column with a duplicated value place the edit highlight on the basis row for copying click FILL to see the AutoFill dialog select Duplicate Current Cell End of Table and Allow Overwrites and enter a No of Steps value corresponding to the number of existing rows to be filled with duplicates All other fields and options should be blank off If the number of steps exceeds the number of blank rows in the column the Allow Insertions box must be checked to add sufficient rows to meet the No of Steps criteria S To clear remove existing values in a portion of a column insert a blank row at the beginning of the range to be cleared or remove an existing row entry place the edit highlight on that row click FILL to see the AutoFill dialog select Duplicate Current Cell End of Table and Allow Overwrites Data and enter a No of Steps value corresponding to the number of existing rows to be cleared filled with a blank entry If the number of steps exceeds the number of blank rows in the column the Allow Insertions box must be checked to add sufficient rows to meet the No of Steps criteria S To fill a column in a new table with incremented values enter the beginning basis value in the first row place the edit highlight on that row click FILL to see the AutoFill dialog select Increment Current Cell and End of Table enter the increment value in the Increment field and enter the number of rows
60. above the highlighted row If you INSERT or CUT rows from a Sequence the line number listing in the ENABLE column will automatically be altered to renumber rows accordingly You can re order the columns in the Sequence Table from left to right or change their individual widths at any time Both the column order and widths are set as defaults in Configuration To move a column to another position in the table simply place the pointer cursor on that column s header button hold down the left mouse button and drag the header button left or right to the new desired position relative to the other columns When the pointer is in the desired position release the mouse button and the entire column will be moved and the table redrawn accordingly Modifying the order of columns may make certain types of table editing or review easier by allowing placement of all columns currently being manipulated in view on a single screen you can easily move unimportant column information to the right and off of the displayed table window area To change the width of any individual column move the pointer cursor to the border of its header button and the next column header button in the direction in which you wish to expand or reduce the column width The cursor will become a double sided horizontal arrow when this change occurs immediately hold down the left mouse button and move the arrow cursor in the direction you wish the button edge to expand or co
61. and then click on Define in the Bookmark menu The Bookmark Define dialog Figure 13 5 will appear Click on OK to use the title of the Help topic as the bookmark name or click inside the name field and type a new bookmark name then click on OK This will now cause the new bookmark name to appear on the Help Bookmark menu HPLC1 lt lt Ready gt gt me y View e PyamdHep dl G File Edit Bookmark Help is id Bookmark Define 1 Bookmark Name Pyramid Help Index ow lo lutorial Topics System Overview Topics Figure 13 5 Bookmark Define Dialog 2 To move to a bookmarked topic click on Bookmark in the Help window Command Menu bar and select the name of the bookmark to be viewed You can also press the underlined number assigned to the desired bookmark instead of clicking on its name The bookmarked topic will appear gt To remove a bookmark click on Bookmark to see the submenu then click on Define Click on the name of the bookmark to be removed and click on Delete Click on OK to execute the deletion 13 3 0 Annotating Help Topics It is possible to add your own customized annotations and notes to any of the Data Ally Help topics Annotations can be up to 2000 characters long and can include any type of characters S To add an annotation to a Help topic with that topic in the current Help window click on Edit and then on Annotate in the submenu the Annotation dialog Figure 13 6 will appear Type
62. any peak by modifying the BASIS column code for that peak in the Reference Peak Table this can be done in conjunction with changing the current plotting weighting for any peak or its curve fit type gt To modify the basis for a given peak first click on that peak s BASIS column cell in the Reference Peak Table to select it and type in the desired code A or H Press ENTER TAB or CTRL arrow or click inside any other cell to make the new entry A dialog box will appear advising that the calibration is being changed and prompting for approval Click OK to proceed with the change the Plot window will instantly change to show the effects of using the new basis You can use this switching to quickly assess the impact of changing basis from area to height or vice versa on any peak Clicking Cancel will disable the command and restore the previous entry 10 5 0 Working With Calibration Files The Calibration filing system permits you to save and recall calibrations quickly and easily The contents of the current Calibration table and its Reference Peak Table as well as all the options and plot settings can be saved as a Calibration file with a unique filename and description so that it can be recalled and reused at any future time either manually in an automated Method or in a Sequence of Methods You can specify a default Calibration file by name during Configuration which is always loaded automatically into the calibration display scree
63. appear when attempting to initialize the Data Ally system e General Protection Faults at start up are usually caused by faulty Graphic drivers or SCSI hard disk set up problems e For Graphic driver problems always try using the default Microsoft VGA or SVGA driver to see if that clears up the problem e For SCSI hard disk problems check with the SCSI interface manufacturer to be sure that their installation instructions have been followed and that you have their latest SCSI Windows driver file installed Usually there will be MS DOS related setups as well for SCSI drives Note In the USA you can check Microsoft Download Service at 206 936 6735 using a modem to search for any driver file updates This service is free except for the cost of the phone call You can search for categories such as printer drivers graphic card drivers etc This same service is available on the Internet at www microsoft com NOTE Do not assume that your computer does not suffer from these setup problems just because you have not seen a problem You must be sure that everything is correct or your computer will exhibit strange behavior when larger applications such as Data Ally are run 17 1 3 Errors During Data Ally Operation There are three types of errors which can be encountered during routine Data Ally operation Each type of error will elicit the appearance of a message box of a certain type on screen regardless of whether Data Ally is running
64. are available Please 3 2 0 INSTALLATION 3 2 1 INSTALL THE DATA ALLY HARDWARE 17 18 Data Ally Chromatography Manager User s Manual BCD Input Flag Relay Active P Switch Connector Inputs and 1 pears Pump Control Ports Outputs Indicator PUMP Pu nP 6PUNPS PUHPu SLAVE ECOIN FLAG OUTPUTS INPUTS 18345518 5123 SER SER2 SERS SERY INPUT IMPUT2 Line Cord Serial Ports Slave Host PC Analog Signal Serial Port Port Inputs 3 2 2 INSTALL THE DATA ALLY SOFTWARE Before beginning the software installation be certain that the Data that all PCPs are connected to the Data Ally and powered ON Reboot the PC and start Microsoft Windows Insert the Data Ally CD ROM in the CD ROM drive The Setup program will load and appear onscreen Follow the instructions given to complete the installation process If after you begin installation the Install program determines that there is not sufficient free hard disk space to install Data Ally a message box will appear alerting you to this condition and requesting that disk space be freed before re attempting the installation Follow all instructions given on screen while using Setup The Setup program will add a new Data Ally application icon to the Windows Program Manager which can be used to start the Data Ally software directly from Windows Data Ally Chromatography Manager User s Manual Program Manager File Options Window Help aay N Pyramid Chromatography M
65. assign a new filename s for the active detector inputs You should leave the Integration and Calibration filename references as they are but you must change the CAL field entry from a calibration mode code value New Replace or Average to a blank which specifies that the chromatogram s to be acquired will not be used as standards Before running the Method click on the Integrate SoftButton to see the Integration screen and recall the Integration file you are using in your Method if it is not already loaded Click on the Reports button at the bottom of the top level screen to see the Reports Selector dialog and then choose which report format s you want to use for reporting the unknown results automatically Note that you do not need to make any reports at this time if you do not wish to since the chromatogram can be reprocessed at any later time for reporting after it has been run and saved When you have specified the reports you want click OK and then resave the modified Integration file by clicking Files on the command menu bar and then Save You can now start the new Method by clicking the RUN SoftButton while viewing any screen except the Sequence screen When the Method finishes the unknown chromatogram will be logged to disk integrated and peak results computed from the current calibration file Reports will be made and either printed shown or saved as you have directed in the Integration program 6 4 5 Programming a Simple
66. autosampler into the Remote Serial Control mode by first turning on the autosampler and then pressing the keys F 4 The autosampler display should show Serial Mode e NOTE The Autosampler should always be ready prior to booting up the Data Ally software If this is forgotten initialization commands will be missed Should this happen you may reset the Data Ally Interface Module or press the reset button located on the rear edge of the Data Ally Personal main PCB This will cause the initialization commands to be re transmitted to the autosampler 15 1 6 Autosampler Sequence Control Issues e It is necessary to configure the Data Ally Control Setup for either Marathon or Marathon XT autosampler control Choose the Marathon XT for either the XT or the Basic Plus Model These models support variable injection volume e While in Data Ally Configuration you may enable the Vial No column so that you can perform random vial number selection during a run Also enable the number of injections column and enable the autosampler enable check box in the top Sequence screen after clicking the Autosampler button NOTE The maximum number of injections per vial in Data Ally is limited to 9 This is due to the way file names are constructed from the sequence line and injection numbers e When a Sequence is started Data Ally waits for the autosampler to communicate and start before the Method file is allowed to run Should the autosampler send an error message
67. be added to the existing calibration table If you specify a non blank value in the CAL field you must also give a level value in the LEV field which selects the concentration level to be assigned to the standard material being run Click in the LEV field and type in the desired level number If you have configured the Method program in this time base without automatic calibration capability the Calibration Lev and Type fields will be hidden and will not be available for programming You can still perform manual or Sequence based calibrations unless these functions have also been suppressed in Configuration gt To select a Calibration file to be loaded automatically for each input click inside the CALIBRATION field for that input and type in the path and filename of any current Calibration file If an invalid Calibration filename is entered an error message will appear when an attempt is made to start the Method advising that a Calibration file must be initialized and saved If you intend to use this Method for quantitative result calculations you should define a Calibration file for each input whether the sample s to be run are standards or unknowns If the Method will process a standard the standard at the assigned LEV will be used to increment the assigned CALIBRATION filename automatically as defined in CAL If the Method will run an unknown the Calibration filename in CALIBRATION will be automatically loaded and that file will be used
68. be modified before executing the method You can also lock any or all factor values as desired simply by typing in a suitable value for any factor s field and then un checking its check box In this manner you can still use individual factors for custom computations in reports etc but you will not be able to access them at all using the SAMPLE button from methods in this time base In the bottom portion of the screen are several fields and check boxes corresponding to Internal Standards 1 to 5 The number of internal standard peaks available for methods in this time base is also specified by the Calibration configuration to change the number of such internal standards click the Calibrate SoftButton and enable or disable internal standards as needed before returning to this screen to set appropriate values When the correct number of available internal standard peaks is defined for the default method you can click inside any or all of the enabled value entry fields to insert IS concentration values as defaults if desired Click on the Sample Information Enable check box at right center to check it if the SAMPLE button is to be visible and accessible with the defined information in your method files in the current time base If the Enable box is not checked the SAMPLE button will not be displayed and it will not be possible to enter sample specific information for method processing in any method file When all the desired entries have
69. channel and its specific applications 6 1 0 Operating Structure and Programs Data Ally runs one time base with two detectors simultaneously Each uses the same standard operating structure customizing changes made via the unique Configurations of the separate detectors The row of SoftButtons at the left of all Data Ally display includes a number of selector buttons used to set which time base is currently being observed and programmed Data Ally user display interface utilizes a set of six basic distinct screens for visual presentation and editing of all raw data calibration report and program files Each of these screens shows a snapshot of information currently in memory which is relevant to the particular part of the system that screen represents The best way to understand the Data Ally user interface is to think of the display as a viewer which focuses on only one part of the overall program Using the mouse to click on any of the buttons in the left screen global column selects an alternate view of a current program In addition to the program screen and time base selector buttons a HELP button is available to show on screen help messages and a RUN STOP button is used to start or terminate runs in the currently observed time base Data Ally organizes information into the following screen display types GRAPH Screen Shows plots of chromatogram files while system is running or for editing purposes Provides all raw data f
70. cleared It is recommended that the default Sequence file name be programmed for the most common running conditions to insure the least possible amount of subsequent programming required for routine users If you wish to split the screen with a Graph window on top and the Sequence Table below it click on the GRAPH button at bottom right This type of display is useful during the processing of live Sequences since it allows viewing of chromatograms developing in real time as well as the current injection position in the sample table 11 2 0 Top Level Sequence The top level Sequence dialog identifies global sequence processing parameters Figure 11 1 TB1 lt lt Ready gt gt Administrator Sequence test90 seq Process Mode Position Reports Options Acquire a Ix Print Ix Validate F Do Not Integrate Do Not Calibrate Reprocess Summarize Autosampler Method SequenceTable test9U seq iB LA Ts NENCCONNZNN Figure 11 1 Sequence Screen 204 Data Ally Chromatography Manager Operators Manual 2 To program a new Sequence or modify a Sequence program already loaded click the left mouse button with the pointer cursor inside any of the entry fields and enter the desired value Like other program files Sequence files are assigned names and descriptions at the time they are saved using the Files SaveAs command Section 11 5 3 below 11 2 1 Operating Mode
71. clearing codes click the right mouse button to display the editing pop up and click on any other option or on End Drawing To erase all codes or to clear a range of codes in a single step use the convenient Erase command in the Define Baseline submenu Click on Erase and the submenu Figure 7 17 will appear containing two commands All and Range To remove all codes from the current foreground chromatogram click on All To remove only a range of codes click on Range then move the pointer into position to draw a rubber banded box to define the range of codes to erase Hold down the left mouse button move the pointer to draw the rectangular range and then release the button all codes in the indicated range will be removed Automatic reintegration will always occur immediately after any erase command is executed HPLC1 lt lt Ready gt gt File Maii Math Display View Print ov Graph c pyramic pan9a7 571 pat Analyze Calibrate Define Baseline WI Define Zone Codes Erase Codes All Integrate Sequence Calib Millivolts amp Utilities Figure 7 17 Erase Baseline Code Commands 7 3 3 6 Undoing Baseline Code Edits You can undo any changes which have been made to the original set of baseline codes for any chromatogram one change at a time by using the Undo command in the editing pop up menu the manual baseline editor keeps track of every recent series of changes and undo can b
72. command below is used to enable display of that item in the Graph window Scaling Scaling sets the overall scaling for all types of screen display registers and enables Autoscaling if this is appropriate The default Scaling mode is usually Autoscaling which will redraw the active Graph window display axes to contain the dimensions of the largest chromatogram file signal level or time in any stack register Autoscale allows approximately 10 of available screen space for any window to accommodate drawing of baseline codes retention times and other labels and annotations and for easier legibility S To reset Graph scaling click on Scaling to see the Scaling dialog box Figure 7 35 This box contains scale factor boxes for all the named up to five input register signal ranges the time range and the range for any HPLC or GC control parameter values which are enabled in Configuration The hardware input and time registers also each have separate check Data Ally Chromatography Manager Operators Manual boxes for AutoScaling which can be enabled independently for any of these parameter types HPLC1 lt lt Ready gt gt File Edit Math Display View Print Help Graph c pyramid pdf 987 571 pdf Display Scaling Gra Metr Min Max me Signal 61 722 678 94 Ti o o 34 985 Seque Ls E oc Figure 7 35 Display Scaling Dialog To set a fixed range maximum and minimum value for the current acti
73. commercial computer software under DARS 52 227 7013 All rights not specifically granted in this Agreement are reserved by SSI Distribution 12 Data Ally Chromatography Manager Operators Manual Data Ally Chromatography Manager Operators Manual 1 0 Introduction Data Ally Chromatography Manager Data Ally Chromatography Manager is a system of hardware and software for IBM compatible personal computers which acquires manages and analyzes signal information from any type of chromatography instrumentation It can also control the operation of those instruments Data Ally can accommodate any types of chromatography instruments HPLC GC IC SFC CZE or other techniques The instrument is linked to the computer via the Data Ally card installed in one of the computer s bus slots The Data Ally software programs Methods for acquiring chromatography signal data and for controlling the desired instruments The card at the start of each run sends all required commands to the instrumentation to execute the Method At the same time the card captures incoming analog signals from detectors through its high performance analog to digital converters or acquires digitized signals directly Each captured and digitized signal is then saved in real time to the Data Ally computer s hard disk drive and also displayed if desired for monitoring purposes At the end of each run the chromatogram signal data from each detector is saved as a unique DOS
74. deed 213 11 4 1 Modifying a Sequence While Executing eseseeseeseeeeeeeeerene enne nenne nennen nennen 214 11 5 0 Working with Sequence Files eese enne enne tHen trennen trennen rennes 214 115 1 Loadmg Sequence Files eese teteeRohepp doeet Ett 215 11 5 2 Clearing Sequence Elles e e er eer np e etico e b ei peri Hee 215 11 5 3 Saving Sequence Files nicr ee iee nee eooo EEE oea aE n e RU E p pA rere es 216 11 5 4 Deleting Sequence Files eee etie ettet eer edet bete ete IERE Ete eh 217 Data Ally Chromatography Manager User s Manual 11 5 5 Printing Sequence Files aiite ette e brote eie eret E EEE EEE 217 11 5 6 Automatically Starting Sequence Files esee nenne eene rennen 217 12 0 D hities etie ettet neon et eae o ttneope eoe den 218 12 1 0 Utilities Files Commands 5t een ite ee e enu e 218 12 1 1 Resetting Config ration eerie eret e ee Re dore EKE ee ee REM eie retur pis 218 12 1 2 Translate Functions eie eee Re ede reet tg 219 12 2 0 Configure on eon Dec RR PR RO TR HIE D D RR Pere ines 222 12 2 1 Exiting the Data Ally SyStem ua eR reto ce RD esta esr er RU iere 222 13 0 Data Ally Help Functions 2 eei o e Rte ERE cre a Ie ate e ESSE e pe xe dein 223 13 1 0 Using the HELP System i eio tp ehe e pO hoe Ree te ee teens 223 13 2 0 Marking Help TOplcs ect oen eee net HERR ER TRO RO SU RT ERR Rer ere bres 225 13 3 0 Annotating Help TE
75. fields this column permits Calibration files to be used as desired in the Sequence regardless of those selected in any included Methods on a sample or row specific basis if Data Ally Chromatography Manager Operators Manual desired This field is used to enter a path filename for calibration information a separate column will be available for configuration for each detector input assigned in each time base Entries in the CAL FILENAME columns will override any Calibration filename entries in any Method in the same row in the Sequence table e RPT TEMPL For each configured detector input Configurable This column permits Excel report template files to be used in the Sequence independently of those selected in any included Methods on a sample or row specific basis if desired This field is used to enter a path filename for the XLS file describing the desired report In the current version only one such report template can be entered per input in a single Sequence These entries will override any Integration filename entries in any Method in the same row in the Sequence table e RPT FILE For each configured detector input Configurable Like the previous fields this column permits independent specification of saved report file names for each defined detector input regardless of those names selected in any included Methods on a sample or row specific basis if desired This field is used to enter a path filename for the report s defin
76. file which will appear in the Description field in the Load dialog box when scanning saved files either by directly typing a description into this field when using the Save As dialog above or by selecting the Sequence Description command in the 216 Data Ally Chromatography Manager Operators Manual Files submenu which permits you to type a multi line text entry into the description field which will be saved with the Sequence file 11 5 4 Deleting Sequence Files To delete a Sequence file from the current disk directory use the Windows File Manager Delete command 11 5 5 Printing Sequence Files Use the Print Sequence command in the Files submenu to print a summary report for the current Sequence file The Print function utilizes an Excel template file which is saved as reports seq seq xls and which can be modified like any other report template using Excel see Section 13 11 5 6 Automatically Starting Sequence Files A special feature built into the Data Ally System is the ability to automatically run the default Sequence file at boot up time You may specify which time bases sequence files are started via the command line switches The following is an example of a command line switch to start time base TB1 and TB1 EDIT This command could be placed in the program group program item command line area of your Windows Data Ally Group If you wanted to start automatically from the DOS prompt you would need to precede the command w
77. file on the computer s hard disk These files can be recalled displayed and edited at any time individually or in batches Data Ally provides a complete set of analytical and editing tools for integration baseline modification comparisons and graphical manipulations of raw data files The Data Ally Calibration Module allows any types of calibrations to be performed for quantitative methods Reports can be created using Microsoft Excel with transparent communication via Direct Data Exchange DDE Data Ally reports can include any information known to the system including results comments text graphics and other file specific data The Data Ally software requires and operates within the Microsoft Windows 3 1 or Microsoft Windows 95 environment It provides many graphical tools and capabilities for programming editing files and creating a fully customized user interface consistent with other Windows applications It also supports Windows based multitasking of DOS or Windows applications in 386 Enhanced Mode simultaneously with all Data Ally operations 13 Setting Up Your Computer For Data Ally It is suggested that you perform the following procedures prior to installing the Data Ally hardware PCB in the computer This will avoid any hardware conflicts that may prevent the computer from booting up These conflicts should be eliminated by the procedures outlined in this document Reserving Interrupt Resources in Windows 95 and the compu
78. files and the mode and level of the calibration to be done These could be the same file s as for the first input or an entirely different set of files To validate all your entries click in any other field on the Method screen When you are ready to inject or begin the run click on RUN to start The run will proceed until the Duration time is reached At that time the file logging to disk would be completed integration and peak identification would occur according to the instructions in the Integration program utilized and the Calibration table in the referenced Calibration file would be updated using the new response values for each peak found You can further automate this process for a large number of individual standard samples or injections by placing one or more Methods programmed in this manner into a Sequence Once a Calibration file has been updated with at least one standard chromatogram run and a Calibration Table exists in that file for each individual peak of interest unknown samples can be run or processed to determine concentration results This can be done manually on a stepwise basis using the Analyze command as in Section 6 4 1 2 above or automatically for single injections using a Method S To analyze an unknown sample using a Method you can use the same Method used to run standards to acquire and analyze unknown samples automatically Recall the Method you used for calibrations into the Method screen and if necessary
79. identified in the Peak Table if available or in the Column Parameters section if a specific retention time is required 2 To perform a manual System Suitability Calculation The peaks in the chromatogram should have a corresponding Peak Table relating to them Select the first peak in the table that is to have System Suitability calculations performed on it and enter an upper case S in the Suit Code column for the peak Repeat for all other peaks for which you wish to have System Suitability calculations If the Unretained or Ko has been integrated place a K in the Suit Code column corresponding to the peak If the Unretained peak has not been integrated the retention time and name may be inserted in the Column Parameters dialog on the top level of the Integration Screen Re integrate the chromatogram with the Edit Integrate Chromatogram option The selected peaks will have additional lines drawn on them corresponding to the system suitability calculations To produce a report go to Edit analyze and select a Suitability report template A4SUIT XLS in Europe to either print or show in the normal way The System Suitability report will be produced Each peak will be displayed separately with the calculations shown next to it NOTE For all the calculations to be performed certain column information will need to be entered in the Column Parameters dialog in the top level of the integration Screen 7 3 8 Cutting the Current Display
80. in Windows or by excessive memory use by any application Printer Problems These are almost always caused either by using the improper printer driver in Windows or by faulty printer drivers Emulating other printers by choosing the wrong driver file in Windows can cause graphics to drop out The proper driver for the brand and model of printer should always be used The latest version of the driver should be obtained either from the printer manufacturer or Microsoft Download or the Internet Using older drivers with bugs can cause many problems including General Protection faults 265
81. mode only Calibration Tables TT Data Ally Chromatography Manager Operators Manual Now proceed to set up the appropriate calibration tables by clicking the CALIBRATION TABLES button at bottom right to view the Calibration Tables Configuration Window Figure 5 62 HPLC1 lt lt Configure gt gt BA File Hele Calibration Curve Bie Reference Table default cal C RT Peak Name IS Graph Method Integ A U S o aw Calibration Table default cal lt unnamed gt RE Bl f Calib e oo fiv wm ities area Is 4 Utilities HPLC1 Timebase HPLC1 Edit aaa CS B Figure 5 62 Calibration Tables Configuration Window This screen is very similar in appearance to the actual Calibration Screen in the Data Ally operating software see Section 9 below and is used to specify the contents of the Calibration Reference table top right which sets standard concentrations basis curve fitting and other parameters for each peak and of the Calibration Data Table bottom which displays desired information about all standards which have been run and processed Before structuring both tables it is necessary to perform the Default Calibration Setup using the File Setup command Click File in the top menu bar to see the Calibration Default File Submenu Figure 5 63 HPLC1 lt lt Configure gt gt File Assign Calibration Bale Reference T Calibration Description I RT Cle
82. mouse button on the Excel icon to load Excel The Excel spreadsheet will appear To load Excel from File Manager find the Excel directory in the master directory listing and click on its directory icon to open the files Locate the excel exe file and click on its icon to execute it and load Excel 14 1 2 Opening An Existing Report Template File To open a Data Ally report template xls file for any report type left mouse click on the Files command in the main Excel worksheet screen and click on Open The Open dialog will appear Figure 16 1 Double click on the C V drive icon and then double click on the AData Ally directory icon to open it and expose its subdirectories Then double click on the REPORTS directory icon to open it and expose its subdirectories A listing of files contained in the Data Ally REPORTS directory will appear This directory will contain files like pyramid xls and pyrrpt xll which communicate with the data system and should not be touched UNDER NO CIRCUMSTANCES SHOULD ANY OF THE FILES PRESENT IN THIS REPORTS DIRECTORY BE CHANGED OR DELETED DOING SO CAN CAUSE FAILURE OF Data Ally REPORTING MODES Double click on the REPORTS directory icon to open it and expose its subdirectories REPORTS CAL KREPORTS INT NREPORTS MET REPORTS SEQ NREPORTS PDF REPORTS SUM Now double click on one of these directories to open it and expose its template files To load one of these templates
83. of Type Drives Method Files met s c ms dos 5 Utilities Description HPLC1 Es Ed Es E Figure 5 46 Assign Default Method Dialog Use the path selector and file listing functions to find and highlight the desired method file in any path accessible to use as the new default file When the desired method name appears click OK to select it or CANCEL to abort the assignment If a valid method file is chosen it will be loaded into the Configuration Method Window and all its settings and parameter values will be used to modify the current default configuration You can then proceed to edit this new default configuration item by item in the same manner as described above if desired or you can accept this complete method as the default and proceed At this point all the global Method defaults have been defined the next step is to set the default Method Events table Before proceeding you may wish to reset the Events button color or label at bottom right of the top level Method dialog by clicking the right mouse button for the pop up button edit menu as already described When finished click Events to see the default Events Table screen Figure 5 47 Bottom Level Method Events Table Setup The Events Table determines what chromatography system parameters you will be able to control from Data Ally in real time while executing your Methods You must include all columns in the table which correspond to feature
84. of consecutive rows in the column with incremented values based on the rows prior to each empty group of rows click FILL to see the AutoFill dialog select Increment Start of Table End of Table and Allow Progressions Type the increment step value for each row into the Increment field with all other fields and options blank off S To fill a column with incremented values in all blank rows based on an existing entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Increment Current Cell and End of Table and enter the increment value in the Increment field leave other fields and options blank off 2 To fill a range of rows with evenly spaced automatically computed values with each row s value corresponding to the difference between the basis cell s value and the value of the next row having a non blank entry in the column divided by the number of intervening rows place the edit highlight on the basis cell first row in the range click FILL to see the AutoFill dialog select Increment Current Cell and To Next Entry If you wish to fill only the existing number of blank intervening rows leave the No of Steps field and all other commands blank off If you wish to fill either only some of the intervening rows or to add new intervening rows enter a number in the No of Steps field specifying the total number of intervening rows to be filled If No of Steps exceeds
85. on the rear of the unit On Data Ally Personal the connectors are located on the rear of the Data Ally Personal card in the computer system Two cables with mini phono plugs on one end and spade connectors on the other end are supplied with each PCP or Data Ally Personal board Tip To Connect a Detector connect the spade connectors to the and integrator output of the detector This output may be marked Integrator or 1 Volt Where possible avoid using the 10mv chart recorder output Plug the RCA Phono plugs into INPUT 1 or INPUT 2 on the rear of the PCP or board Repeat for an additional detector on the same time base or second signal from the same detector 247 Data Ally Chromatography Manager Operators Manual Warning The voltage input range of Data Ally is O 1 Volt Do not connect a 10 Volt signal to the PCP or board using standard cables If a 10 Volt output is required then contact Axxiom Chromatography or your dealer to obtain 0 10 Volt cables 15 3 2 UV and Fluorescence Detector Control Most UV and Fluorescence detectors are controlled in the same way regardless of the brand or model The number of possible control columns may vary depending on the detector Tip To Program UV Detectors In the Time column of the Events Table enter the first time for detector control followed by the Enter key In the Command column for the specific detector enter the desired command and value See details on specific detectors fo
86. other action to occur If certain command buttons are not functional or available at certain times they will be grayed out and cannot be used To activate a command button click on it with the left mouse button Control Menu Box The Control Menu box the small horizontal dash button at the upper left corner of certain dialog boxes has the same function as for any Window Clicking the left mouse button with the pointer on the Control Menu box displays the Control pulldown submenu common to all Windows with commands for Restore Move Resize Minimize Maximize and Close Figure 4 4 Not all dialog boxes in Data Ally include the Control Menu Box those that do include it are effectively windows which can be moved resized minimized or iconized maximized or closed A Switch to command is often provided which allows direct switching to a different application in Windows In some cases only certain commands are available in the Control Menu for certain dialogs For example the Control Menu pulldown for the Files Load dialog in Figure 4 3 only includes commands for closing and moving the dialog box HPLC1 Ready Restore lay View Print Close Alt F4 Switch To Ctrl Esc Figure 4 4 Control Application Menu for Graph Screen Window There are two ways to close a dialog box If a Control Menu Box is present at its upper left corner click on the Box and select Close If no Control Menu Box is present generally clicking o
87. other correction factors used Correction factors such as Dilution Weight Injection Volume and User Defined factors may still be used with Internal Standardization but such factors will be applied only to the final result after any internal standard correction is made To avoid confusion and potential result errors it is strongly recommended that such factors should not be employed when internal standard calibrations are performed 10 3 2 1 Single Level Calibration With Internal Standard For single level calibration the results for each unknown are computed by the formula Concentration RFra Rel Basis Dilution Weight Injection Volume where Rel Basis Basis Area or Height of Unknown Conc of Internal Standard Basis of Internal Standard As for external standard calibrations single level internal standard calibration can include as many replicates of the same corrected concentration as desired The basis used for each Internal Standard peak can be either area or height regardless of the basis of the unknown peak to be measured as long as the same basis is used for any single Internal Standard peak in all standards and unknowns For multiple level internal standard calibrations the corrected concentration for each standard level is compared to its measured relative basis area or height against its internal standard peak via regression fitting utilizing either linear quadratic exponential or interpolated metho
88. page If you would rather have multiple report rows per data row or tuple you must follow the restrictions described in section 14 3 3 2 for folded rows Section 14 4 contains the list of fields available for a peak information table from a single run Note that column width which can be set for each table column will effectively determine how many digits or characters can be shown or printed for each field You can also format numerical results in the table using the Excel Format Number command and align text or numerical column values in each column using the Format Align commands To insert one or more blank columns between any other columns in a table simply leave them blank 14 4 0 Data Ally DDE Names For Use On Reports The easiest way to create a user specific report is to modify an existing report template that starts out working perfectly Test this original template yourself with the data system before you make any modifications or you might end up starting all over Make a copy of this template and step wise modify and test it Make small modifications saving and testing each of them by running the data system before you change more things For instance it is reasonable to add many DDE fields to a report header edit the appropriate Dde Cells for them and then test the whole lot It is not reasonable to also start changing column widths and modifying table entries at the same time and expect it all to work the first time Don t
89. pyramid pymew cfg Save As File Name Directories e pyramid pymew cfg c Npyramid E ces pyramid anticon5 C3 catechol Imws orgacids pdf List Files of Type Drives Configuration Files cfq c ms dos_5 B Description no description Figure 5 73 Save As Configuration Dialog Enter a description of the current configuration by clicking inside the Description box and typing the desired entry 5 2 6 8 Completing Time Base Configuration When all Configuration settings and default files are shown as desired for the current time base in other words the desired configuration file is currently loaded you can exit Configuration to begin using Data Ally with any new configuration changes or you can restore the previous or any other saved configuration 87 Data Ally Chromatography Manager Operators Manual If you wish to load a previously saved Configuration file either to edit it or to set up the Data Ally software as it specifies click on Files Load in the UTIL screen to view the Load Configuration dialog Figure 5 74 TBI lt lt Configure gt gt D B f L n nn nvrrnew Load Configuration File File Name Directories c pyramid cfgalan cfg Ges og amp pyramid pyramid cfg C3 anticon5 pyramid0 c g catechol Read Only pyrnew cfg 3 Imws zd testl cfg orgacids 3 pdf 3 program pyrtemp List Files of Type Drives Configuration Files
90. range click FILL to see the AutoFill dialog select Increment Current Cell and To Next Entry If you wish to fill only the existing number of blank intervening rows leave the No of Steps field and all other commands blank off If you wish to fill either only some of the intervening rows or to add new intervening rows enter a number in the No of Steps field specifying the total number of intervening rows to be filled If No of Steps exceeds the number of existing blank lines in the range you must check the Allow Insertions box to automatically add and fill sufficient lines to match the No of Steps entry S To fill all existing ranges of empty rows in the column with evenly spaced automatically computed values with each filled row s value corresponding to the difference between the value of the cell immediately preceding that range and the value of the next row having a non blank entry following the range divided by the number of intervening rows click FILL to see the AutoFill dialog select Increment Start of Table End of Table and Allow Progressions Leave all other selections blank off S To overwrite existing values along with any blank rows with incremented values in an entire column place the edit highlight on the basis row for incrementing click FILL to see the AutoFill dialog select Increment Current Cell and End of Table enter the increment value in the Increment field and check the All
91. return to the top level Integration dialog box display click on the INTEG button at the bottom right edge below the Peak Table 9 2 1 Peak Table Functions The Peak Table consists of a series of columns defined in Configuration each of which contains information concerning peak component identification By definition every Peak Table must include columns for Retention Time and Window all other parameters are optional Each Peak Table is a spreadsheet which operates in much the same fashion as common spreadsheet software programs The Table spreadsheet consists of columns and rows which can be typed into copied cleared deleted pasted and appended to The four buttons at left beneath the table marked Insert Delete Copy and Paste allow rows in the table and ranges of rows to be manipulated easily Each Peak Table is defaulted to a single horizontal row Rows are added by either clicking the left mouse button on the INSERT button at bottom or by repeatedly pressing the ENTER key which will move to the last column in the last current row and then create a new row below You must create a new row before entering information into that row The INSERT button can be used to insert new blank rows within a series of already completed rows at any desired position Move the pointer to any cell in the row below where you wish to add a new row and click the left button to place the highlight cursor in that row Then click the INSERT button
92. row or last row At any time one line in the table will be highlighted The highlight can be moved to a different line by clicking the left mouse button on any desired column in the row to be highlighted As in the other Data Ally tables the highlight represents the editing point inside the table Unlike the other Data Ally tables the Calibration Point Table is mainly a reviewing tool rather than a programming tool and thus permits very limited editing Like all the other Data Ally tables you can resize any table columns at any time by using the special header column button double arrow cursor to drag column header borders to desired positions You can also drag entire columns to any relative position in the table in order to achieve the most useful view of the table contents at any time Note that the COPY CUT PASTE FILL command buttons at the bottom of the Calibration screen are not active for the Calibration Point Table window This is because the values in the Calibration Point Table are derived from actual standard runs and are not intended for manual editing The only ways to remove standard run data which has been logged into the Calibration Table via manual or automatic calibration is to either use Setup again to restructure and reinitialize the table or to use the Clear Calibration Clear Point Table command Section 10 below Every line in the Table representing a single standard injection with all its corresponding data has a c
93. screen it should now contain the final set of algorithm parameters you have just utilized Click on the PEAK TABLE button to view the split screen Peak Table display The chromatogram will appear in the Graph window at the top of the screen To fill the peak retention times into the peak table click on the RT column header button in the Table and then on the FILL button at bottom center beneath the table The AutoFill dialog box will appear Click on the Fill From Graph radio button in the top portion of the dialog and click on the Start of Table and End of Table radio buttons in its center section to select filling of the entire peak list Click on OK the marked retention times for all the peaks in your chromatogram will be immediately filled into the table one line or row per peak Now click the pointer inside the top row of the WINDOW column corresponding to the first peak Enter a retention window value for the first peak position a value of 0 1 or 0 2 min should be adequate if your peaks are well resolved To use the same window value for all other peaks click on the WINDOW column header button and then on the Duplicate radio button in the AutoFill dialog Click on OK to copy the first row window value into all other rows in the column This is the fastest way to set up a new Peak Table you can always return and set individual peak windows or other information later on You may want to proceed and enter peak names for the
94. the Column Parameters dialog on the top level of the Integration Screen Note For all the calculations to be performed certain column information will need to be entered in the Column Parameters dialog in the top level of the integration screen Hint The same Window value may be quickly programmed for all peaks in the Peak table by using The Fill Function 9 1 4 Peak Identification Only absolute retention times and windows and largest area within window peak logic are available for identifying peaks in the current version 9 2 0 Integration Peak Table gt To view the Peak Table for the current Integration program click on the large PEAK TABLE button at bottom center of the top level Integration dialog The Peak Table screen Figure 9 5 will appear 165 Data Ally Chromatography Manager Operators Manual TB1 lt lt Ready gt gt Administrator bd a File Edit Math Display View Print Graph c st8 ecd033 pdf HSS a oe Figure 9 5 Integration Peak Table Window The Peak Table is displayed in split screen fashion beneath a working Graph screen The Graph screen can be used to display chromatograms during real time processing or during review and is connected to the Peak Table below to allow graphical updates and modifications of the Peak Table Click the left mouse button with the pointer anywhere inside either the Graph window or the Peak Table window in this screen to make that window active gt To
95. the Bottom Margin This comment should be consistent with the actual Top and Bottom Margins set in the Page Setup Dialog Box opened by File Page Setup In the Page Tab select the paper size in the Margins Tab select the Top and Bottom margins These are the only parameters that need to be changed to convert from one Paper size to another once you figure out what the correct Top and Bottom margins are for the different page sizes If you want to be able to create a 233 Data Ally Chromatography Manager Operators Manual report from scratch that converts easily this way a landscape report should be created based upon letter paper because it has the shortest length A portrait report should be created based upon A4 paper because it has the narrowest width 14 3 2 Placing And Formatting Report Headers A report header is a set of information and or graphics that prints once at the beginning of a report In most cases the report header will include some identification of the type of report the institution or laboratory the date and time of the report the operator name the data file s used for the report the analytical instrumentation or system employed for the run sample specific information and a description of the procedural files used to generate the run and report Generally report header information is global in nature When DDE fields are placed on the report they must be preceded by an exclamation point and the cell containing t
96. the analytical pulse acquisition delay The acquisition delay must be between 60and the value of the T1 parameter 10 E g if T1 above 200msec then PACQ may be between 60 and 190msec Command Where x Effect PACQx 60 to Sets 60msec T1 10 any integer between Sets T1 10msec CMV Sets the cleaning pulse potential E2 Command Where x Effect CMVx 2000 to Sets 2000mV 2000 any integer between Sets 2000mV CMS Sets the cleaning pulse duration T2 Command Where x Effect CMSx 10to Sets 10 msec 1000 any integer between Sets 1000msec EMV Sets the equilibration pulse potential E3 Command Where x Effect EMVx 2000 to Sets 2000mV 2000 any integer between Sets 2000mV EMS Sets the equilibration pulse duration T3 Command Where x Effect EMSx 10to Sets 10msec 1000 any integer between Sets 1000msec OFF Sets the channel offset in Command Where x Effect OFFx 100 to Sets 100 100 and any integer between sets 100 252 Data Ally Chromatography Manager Operators Manual 15 3 4 6 Guard Cell Commands DC Mode Guard Cell commands are programmed through the Guard column in the Events Table The DC mode of operation is set through the system configuration The possible commands are MV Sets the Guard Cell potential Command Where x Effect MVx 2000 to Sets 2000mV 2000 any integer between Sets 2000mV 15 3 4 7 Guard Cell Commands Pulse Mode Guard Cell commands are programmed through the Guard column in the
97. the defaults for what is normally the most convenient display presentation for your chromatograms and applications When scaling defaults are set click OK to save them or Cancel to retain the current settings If the current time base is configured with HPLC pump control a Pumps button will appear in the dialog for setting the pump trace scaling defaults To adjust these settings click on Pumps to view the Pump Scaling Default dialog Figure 5 29 53 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File Edit Math Display View Print Help s Display Scaling Figure 5 29 Pump Scaling Default Dialog You can specify either autoscaling independently for the Flow and Gradient Per Cent traces by checking the Auto check boxes corresponding to either or both or you can click inside the Minimum and Maximum value entry fields to set the default scaling limits Of course it is possible to rescale pump parameter traces at any time while running Data Ally regardless of this configuration When setup is as desired click OK or Cancel to retain the previous settings If you wish to set the default Graph display with more than one window pane when the default Method is loaded click Display in the top menu bar and then click Split in the submenu a child window which is an exact duplicate of the existing window will appear You can repeat using the Split command to create up to four separate pa
98. the top left cell and press and hold the left mouse button while dragging the mouse to highlight the desired range Open the Define Name Dialog Box and the range as necessary See section 14 2 5 Examples of defined names that require ranges are Table Origin Summary Origin See section 14 2 6 14 2 5 2 Defining A Named Row Reference e Preselect the row s before opening the dialog To preselect a row or rows click on the row heading and draw the mouse down to select the row s to highlight the desired rows Open the Define Name Dialog Box and edit the row reference if necessary See section 14 2 5 Examples of defined names that require row references are Print Titles and Summary Bound See section 14 2 6 14 2 5 3 Defining A Named Multiple Selection Of Cells Make a multiple selection of cells before opening the dialog To make a multiple selection of cells left mouse click on the first cell in the list press and hold down the control key clicking on each successive cell in the list Open the Define Name Dialog Box and edit the list of cells if necessary See section 14 2 5 An example of a Defined Name that requires a list of cells is Dde Cells See section 14 2 6 Though the process is more arduous the RefersTo box at the bottom could be edited by hand without preselecting cells A sample entry might be R5C2 R6C2 R7C2 R8C4 Colon characters are not permitted in multiple selections for use with Dde Cells 14 2 6 Inspecting
99. this screen You can of course resize and reshape each pane as desired using the standard commands and cursors To restore a single window view either simply click the MONITOR button in the lower right hand corner of the screen or select Display Monitor Time Bases again from the command menu bar 7 7 0 Manual Printing of Graph Documents The Print submenu of the Graph Command Menu Bar Figure 7 42 allows manual printing of chromatogram files and other information in the current active Graph window These Print functions can be executed at any time the channel is not running a Method Data Ally normally prints via the Windows Print Manager This means that Windows itself manages the setup of printers and all printing operations including spooling and print queuing Printing images from the active Graph window is based on the Windows what you see is what you get or WYSIWYG convention the printed image will represent exactly those fonts characters and graphics shown on the display You can use Print Manager spooling by setting its Low Priority option to delay print operations to cause minimal slowdown of on screen displays while Data Ally is running Alternatively you can set the High Priority option to achieve faster printouts usually at the expense of screen update times It is possible and sometimes desirable to use Windows compatible print spooling or buffering accessories with Data Ally if heavy printing workloads are anticipate
100. time as Data Ally you may wish to resize the Data Ally time base windows so that they appear beside windows in which other programs are running You can also enlarge windows which show for example a Peak Table or a Calibration Plot for added convenience or to see more information in a single view S To resize a window which has not been maximized move the pointer to any border or corner of that window until the pointer arrow changes to a two headed arrow With the two headed arrow displayed depress the left mouse button and begin to drag the border or corner until the new outline for the window reaches the desired size Release the mouse button and the window will be redrawn to the new size A maximized window cannot be resized you must use the Restore function to un maximize it first by clicking on the up down arrow Restore button at its top right corner You can also resize any window from its Program Control menu by clicking on the menu button at the top left corner of the window Figure 4 4 and selecting the Size function ALT HYPHEN R or CTRL F8 The pointer will change to a four headed arrow press one of the arrow keys to indicate which border you want to move and the pointer will change to a two headed arrow Use the appropriate arrow keys to move the border as desired then press ENTER Pressing lt ESC gt will return the window to its previous size 27 Data Ally Chromatography Manager Operators Manua
101. times in as many different rows as desired in a single Events Table program any single FOUT column cell can contain multiple flag entries S To edit the FOUT field click the left mouse button with the pointer cursor inside any cell in the FOUT column and type in the desired flag number Each time a flag number code is entered the flag assumes the polarity defined for it during Configuration High or Low Closed or Open contact If polarity is set high for a flag that flag contact will close when it is executed and remain closed until it is defeated via a second later entry of the same flag in the Events Table Polarity for flags can only be changed via Configuration The time duration for each flag execution is adjusted automatically by Data Ally You can also use AutoFill editing below to change FOUT column entries e FIN Configurable This column sets utilization of any external input relays or contact closures available in the Communications Processor dedicated to this channel and defined in Configuration Normally each configured input relay flag is given a name identifier during Configuration to make it more convenient to program each flag in the Events Table A flag is entered by typing its code S or 1 through 3 into the FIN column One flag can be used as many times in as many different rows as desired in a single Events Table program The S input flag is usually reserved for remote start of the data system from a contact c
102. to insert the new row above the highlighted row Repeated clicks on INSERT will insert a series of rows The DELETE button is used to permanently delete rows in the table Move the pointer to the row to be deleted and click the left mouse button to anchor the highlight pointer in that row Then click the left button on DELETE to remove that entire row and its contents 166 Data Ally Chromatography Manager Operators Manual The CUT button can be used to cut rows which are already in the table and subsequently paste them into a new position Move the pointer to the row to be cut and click the left mouse button to anchor the highlight pointer in that row Then click the left button on CUT to remove that entire row and its contents the row is placed into an internal memory and can now be recalled using the PASTE command Rows which have been cut can be replaced into the table in a different position by using the PASTE command after a CUT Immediately after cutting a row move the pointer and click to highlight anywhere in the row just below where you want to re insert the cut row Then click on PASTE and the cut row or rows will be inserted PASTE cannot be used after rows have been DELETEd since deleted rows are permanently discarded If a row is CUT and not PASTEd back into the table the row is effectively deleted in the same manner as via the DELETE command You can easily re order the columns in the Peak Table from left to right or change
103. unchecked and this option will never appear in any calibration screens In the area marked Basis are the two options area or height for quantitating peaks Click to check which options are to be available and on the Def button to assign the default condition if more than one selection is indicated In the area marked Curve Type click on all the curve fitting options to be accessible in the current time base for multiple point standard computations Also click on the single option to be set as the default most often Linear which will be used in the absence of any manual modifications In the area marked Correction Factors check the checkboxes of each of the factor types you wish to be active in this time base These checkboxes will enable the use of each type of factor in setup of your Method and Sequence programs as well as the manual Analyze and Calibrate dialogs in the Graph screen for this time base IF A FACTOR IS NOT ENABLED HERE IT WILL NOT BE AVAILABLE FOR USE IN ANY MANNER IN THE CURRENT TIME BASE NOTE AS FOR THE OTHER DEFAULT SETUP SCREENS THAT THOSE OPTIONS NOT CHECKMARKED FOR CALIBRATION WILL NOT BE DISPLAYED NOR AVAILABLE FOR USE WITH ANY CALIBRATION PERFORMED USING THIS TIME BASE CONFIGURATION 76 Data Ally Chromatography Manager Operators Manual To enter a description for the default calibration file click File in the top command menu bar to see the File submenu figure 5 60 P onfigure ME bratio
104. which options are to be made available for analyzing and interpreting the calibration data Calibration files can consist of results from only a single standard chromatogram and can be as large or contain information from as many different standard runs as desired Calibration files are updated via instructions from a running Method or Sequence or from use of the manual Edit Calibrate command in any Graph window Only one standard chromatogram can be applied to a Calibration file at one time for updating When a calibration is performed manually or as part of a Method or Sequence using a defined Calibration file one of three options is always selected e The standard chromatogram being analyzed is used to establish a new calibration in the file clearing any previous responses at all levels in that file the New mode e The standard chromatogram is used to clear and update any existing responses in an already existing calibration in the file for the single calibration level represented by that standard the Replace Level mode all other responses for all other levels in the Calibration file are retained e The standard chromatogram is used to update the existing responses in an already existing calibration in the file by averaging its response at the appropriate level with all other existing responses the Average mode This mode is essentially a moving average computation since each new standard response is averaged against the previous
105. with the new codes from the new integration However those codes are not resaved with the chromatogram file until the chromatogram is cleared from the current Graph window or overwritten with a new file To change the integration algorithm parameters click inside any desired parameter entry field in the Integration dialog and type in the new desired value and units if you wish to change current units Double clicking inside any field will allow you to directly type a new entry to replace the old entry Then click OK again with the left mouse button to integrate using the modified parameters Each time you modify the algorithm parameters any changes are automatically duplicated in the corresponding fields in the currently loaded Integration program screen Section 9 1 2 110 Data Ally Chromatography Manager Operators Manual View Only Checking the View Only box in the Integration dialog will cause integration of only the current view of the foreground chromatogram in the active graph window instead of the entire chromatogram This is useful when you wish to check the effects of the current algorithm on only a small region or set of peaks rather than all peaks since it reduces the time required to complete integration 7 3 3 Manual Chromatogram Baseline Editing The chromatogram loaded into the foreground register of the active Graph screen window can be edited at any time to change baseline markers New peak labels can be placed graphicall
106. you may not need to program any Data Ally methods other than the one defined as the default to do all your applications Once the default filename is shown correctly click inside the Run Duration default field to set the default run time in any desired time units Type the value and units designator into the field and either press ENTER or click inside another field on the screen The new units will appear in the gray box at right of the DURATION field If the value already present for DURATION is acceptable you do not need to make any entry in the field Click the SAMPLE button to define the sample specific entry fields associated with methods in the current time base The Sample Information Configuration dialog will appear Figure 5 42 HPLC1 lt lt Configure gt gt Set Sample Information lt X Enable Events Table Figure 5 41 Method Configuration Dialog This dialog defines what information fields will be available for entering sample specific data for processing while executing individual methods and sets the default values for those parameters if any In the top area of the dialog marked Sample click inside the check boxes in front of each sample parameter listed to check those parameters you wish to be visible and accessible for entering sample information Do not checkmark those items you do not wish to use in your method files You can click inside the entry field corresponding to any
107. you wish to specify a permanent offset on the signal axis associated with the default Method file click inside the offset value field corresponding to that input register and type in the desired offset When all offsets have been entered as needed click OK to close the dialog or Cancel to keep the previous settings Note that an entry of 0 zero will select no offset from the true signal value You have complete access to setting offsets either graphically or numerically at any time in the Graph screen entries of values other than zero are suggested primarily in cases in which you are aware that the overlap of multiple detector signals will make them difficult to distinguish unless one or more signal traces are offset HPLC1 lt lt Configure gt gt File Edit Math Display View Print Graph c pyramid alis60 pdf Display Offsets Cali Utilities Figure 5 27 Pumps Offset Display Dialog If the current time base is configured for HPLC and pump control is defined in the Components Configuration a button will appear in the Set Offset dialog to set the default pump trace display offsets Click this button to specify these offsets with the Pumps Offset Display Dialog Figure 5 27 Fields are provided in this dialog for up to four individual pump gradient percentages A through D and for a Flow value in ml min depending upon the actual configuration Click inside any of the fields and enter an offset value from
108. zero in the appropriate units When finished click OK to close the 52 Data Ally Chromatography Manager Operators Manual dialog or Cancel to retain its previous entries Again this dialog sets the defaults only the actual offsets can always be changed during actual Data Ally operation HPLC1 lt lt Configure gt gt File Edit Math Display View Print Helo Graph c pyramid alis60 pdf Display Scaling Figure 5 28 Display Scaling Default Dialog Click on the Graph Display top menu bar command and then on Scaling in the submenu to set the graph scaling associated with the default Method file The Scaling Default dialog Figure 5 28 will appear This dialog specifies the type of default scaling for chromatograms in the Graph window in this time base Scaling is set separately for the Signal and Time axes either by checking the Auto box adjacent to either field to specify autoscaling or by clicking inside the minimum and maximum value fields and typing in actual scaling display limits in the appropriate units If Auto is checked for either Signal or Time that axis will be adjusted automatically according to the magnitude of the chromatogram s loaded or captured in the time base See Section 7 6 3 below for a more complete explanation of Scaling functions As with all other parameters you can change scaling at any time during actual operation including during real time data processing It is recommended that you set
109. 0nA 31 39 10UA 5 0UA 1000 1200 1 2000 2200 2 1000 1200 1 2000 2200 2 1000 1200 1 2000 2200 2 15 3 4 Controlling the ESA Electrochemical Detector The Coulochem is connected to COM1 on the PCP via a multi colored cable to the RS232 port on the rear of the unit Before it can be used with Data Ally it is necessary to switch the detector to Remote Communication Mode To Switch the Coulochem to Remote Mode 1 Press the MODE button on the front panel of the detector 2 Press the UP arrow key 4 times until SYSTEM MENUS is shown in the display 3 Press the Enter key 4 Press the UP arrow key 4 times until ENTER REMOTE COMMUNICATIONS MODE is shown in the display 5 Press the Enter key The detector will now be in Remote Mode and the green REMOTE light will show 15 3 4 1 General Notes about Coulochem II Operation with Data Ally Coulochem II may be run in DC Mode or Pulse Mode The choice of mode is made in Data Ally System Configuration and may only be changed if Data Ally is re started Since most applications 249 Data Ally Chromatography Manager Operators Manual require only one mode the decision on which mode to use may be made at installation after which time it will remain the same The control of the detector is made through the Method Screen Events Table in which a number of dedicated columns are displayed These are EC Cmd Sends global commands which effect the whole detector e g Autoze
110. 1 contains information regarding the default Method file name the detector signal inputs the handling of chromatogram data files and the processing of runs in separate blocked sections of the screen Since two independent detector inputs have been configured for this time base in this example above the Method dialog shown has parameter entries for two inputs named UV Vis and ECD these could be renamed or one or the other removed by clicking the Utilities SoftButton and selecting the Components configuration commands again as in Section 5 2 1 above Default File Name When Data Ally is first initialized all default program files will appear in their Configuration windows with the name Default xxx where xxx is the correct name extension in this case met There are three ways to assign the default method file which will automatically be loaded each time the current Data Ally time base is started and whenever another method is cleared from the time base you can accept the name default met and proceed you can click inside the Name field and type in any desired name up to eight characters or you can click on Files in the top command bar to select a Method file which already exists on disk and assign it as the default with all its existing parameters see below It is recommended that all default files be given the name best suited to describe the nature of the method itself if you perform mostly one type of method on this time base
111. 1 lt lt Ready gt gt fel Methnd defaulmetiread anh o LOAD METHOD FILE File Name Directories c Npyramid cs gt pyramid calll met 5 cal12 met anticon5 cal13 met C3 catechol test met C3 Imws testl met 3 orgacids test9 met 3 pdt C3 program C pyrtemp List Files of Type Drives Method Files met c ms dos_5 Description Figure 8 9 Method Files Load Dialog If the previous file has been edited and has not been saved or resaved an information message will appear before the new file is loaded asking if the previous file should be saved If so click on YES and assign either the same filename or a new name as desired If you do not wish to save the edited file click on NO to proceed If you are operating in GLP Mode and the previous Method file was used to generate or reprocess chromatograms you will be forced to save this file if it was not saved before in its current state before a new Method file can be loaded When a new file is loaded it will overwrite the previous Method file Load Default File The Load Default File command causes loading of the Method file defined as the default method in Configuration see Section 5 2 5 2 Since the default Method file like all Data Ally defaults is a read only file it cannot be changed and resaved unless the system is reconfigured Use the Load Default File command to restore the default method whenever you wish rega
112. 1 12 uu c MEME HPLC1 14 Edit 15 6 A mg 40 0 TB2 16 12 5 mg 100 0 80 0 Timebase Lel TE2 Figure 10 6 Changing Basis for Existing Peak in Reference Table 10 2 1 4 Setting Concentration Reporting Units for Each Peak The UNITS column for each peak defines the label to be applied to all reported results In Data Ally units are completely arbitrary for any individual peak For example one peak can be reported as mg ul with another peak reported as g ml It is possible to enter a units label along with any numeric concentration value in any LEVx column in the Reference Table If such units terms are provided Data Ally will automatically compensate for differences among units input in different LEV columns for any single peak However if an entry is made in the UNITS column any individual units labels inserted in any LEV column must be interpretable into the type of units specified in the UNITS column For example if the UNITS column entry for a peak is mg dl you can make entries of ug ml or g l into any LEVs columns for that peak however you cannot make an entry of L liters or G grams in any of the LEV columns since Data Ally has no way to determine the relationship between these entries and the UNITS of mg dl Generally you will want to use the units designator for each peak component in which the numerical standard concentration values will be entered in the LEVX columns UNITS entries will be used in every on scree
113. 2 Install the Data Ally Software nente eee rhet reir tere ORE ERR ERR ER Ee Pre EES 18 3 3 0 Starting Data ATI oo eet Rote ie presi testenette si Get ideste dutem D seu imc Sides Ee 20 3 4 0 Installing Data Ally Software Upgrades eee ceeeceeeeceeeceeeceeceseceaecsaecsaecaaecaeseeeseaeeeeeeseneenseenas 20 4 0 The Data Ally Desktop Basics ieget etti e eR re e i he eie iet KESS 21 4 1 0 Menus and Commands 2o e epe epo ee tere edendo ie ipe erp ete 21 ASL A bialog BOxessieicoe ntt err e RE cot tra e EC RR RS 22 42 0 Datt Ally Windows eee detineri etel t eoe ederet ip ied eg ertet en 25 4 2 1 Switching Between Windows eese nennen eene emet nene nente trennen 26 4 2 2 Making a Window Active sesiones eR e Re ERE RE ep eet ERT EEE 26 4 2 3 Moving Windows and Dialog Boxes essent ene tene trennen tren 26 4 2 4 Expanding Windows to Maximum Size eese eee rennen ener 27 4 2 5 Resizing WindOowWs eei ient eie rea rtees aea Pee Petit ueteri en eene 27 4 2 6 Closing a WANdOW 4 8 ener Rebelde bee aee 28 4 2 T Minimizing Window enun ner eem RIGHE RH OE Ren rn 28 4 2 8xSphit ng a Wandow 5 nee pa t e ege e re e ee ite e reis 28 4 3 0 Mouse Pointers and Techniques sessseeeeseeeeeeeee eene nennen nennen eene ener teneret teen 29 4 3 1 Pointer Shapes ze eR ede eroe dte edenda aun 29 4 32 Basic Mouse Techniques nr there De eR TR Reb D rre re ORC hepat
114. 2 0 Integ E Vertical Axis 2 0 r Calib Figure 5 33 Zoom Scale Factors Default Dialog You can now click the left mouse button inside each of the set field boxes and type in the desired magnification factor Note that a factor greater than one will cause the display to expand while a factor less than one will cause it to contract Recommended settings for are factors of between two and five for both axes When the factors are set as desired click OK to save them or Cancel to retain the existing factors You can of course reset the default factors using this dialog without actually enabling Zoom Center as a default function Configuring Print Functions You can set the default configuration of the manual printing functions in the Graph Print submenu by clicking the Print top bar menu command to view the Print Default submenu Figure 5 34 56 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File Edit Math Display View MM B Chromatogram s Help Printout Info Graph Method Integ Sequence PEAKTHREE 3 Calib Utilities Eo oe hone ERE LEAN UNT NEN EIEE NEN DUI on D IRE HPLC1 BE E EE EEE BE 0 BE EE BE BEBE B E BE BE BEBE BE BE B E Timebase Figure 5 34 Print Command Default Submenu Click on Chromatograms in the submenu to see the printer setup dialog Figure 5 35 This dialog permits specification of the manual chromatogram print output
115. 5 38 d T ET T TTT ET TFT W T T T E BEE E EBE EBE BE Set Color Figure 5 38 Graph Screen Button Configuration Pop up Submenu There are two items in the poppa Set Color and Set Title To change the color of this button click on Set Color to see the Set Button Color Dialog Figure 5 39 59 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File Edit Math Display View Print KE Graph c pyramid alis60 pdf Graph Method me E m o mmmmm Custom Colors coo ro Ss ERE UN UR UR UN Een eee Utilities HPLC1 Timebase HPLC1 Edit i Figure 5 39 Set Button Color Dialog The Set Button Color Dialog contains a color palette from which you can select the desired button face color by clicking on any color field When the selected field is highlighted click OK to recolor the button or Cancel to escape The button color will automatically be reset To change the title of the button click the right mouse button again with the pointer on the button the Set Button Title dialog will appear Figure 5 40 HPLC1 lt lt Configure gt gt File Edit Math Display View Print iz Help Set Title Title for Hold Graph Hold Method Press Ctrl Enter to start a new line Integ Title Color Calib Utilities Lg ER Fe i E El pn DL E BEE E EBE E P HPLC1 Timahasa Figure 5 40 Set Button Title Dialog 60 Data Ally Chromatograp
116. 61 Data Ally Chromatography Manager Operators Manual 17 Installation and Routine Troubleshooting If difficulties are encountered during the installation process check the following section for guidelines to resolving the most common types of problems If none of the suggestions below applies or helps you complete a successful installation contact your distributor for assistance 17 1 0 Serial Mismatch Errors A serial mismatch error occurs when the error message box appears during the initial bootup period for the Data Ally software Serial mismatch indicates that one of the following situations has occurred e The software verifies that the Data Ally Data Ally Card installed in the PC has a different encoded serial number and is thus not compatible e The software cannot for some reason locate the Data Ally Card even though it is physically installed in the PC so that no serial number match verification is possible e The PC has not found or recognized the special command devicezc Data Ally vptd 386 which must be present in the Windows SYSTEM INI file before Data Ally can be loaded If a Serial Mismatch error occurs you must first confirm that both the Data Ally Card and Windows have been installed correctly The Data Ally Card installed must not be damaged in any way must be completely and properly inserted into a 16 bit slot in the PC bus and must have a serial number which matches the serial number printed on your Data All
117. All curve fitting basis and correction factor options are available regardless of the mode selected for any peak 10 3 1 External Standard Calibration In External Standard calibrations an ES code is placed in the CAL column of the Peak Table for all peaks to be calibrated in this mode Up to sixteen different concentration levels for external standards are specified for each individual peak in the Calibration Reference Table which must correspond to the exact concentration values expected for each external standard mixture injected 190 Data Ally Chromatography Manager Operators Manual For single point External Standard mode the Response Factor is defined as RF Corrected Concentration Basis Area or Height where Corrected Concentration Nominal Concentration from Ref Table LEV value Weight Inj Vol Dilution In most cases the nominal concentration given for each level in the Reference Table should represent the actual concentration of the standard in the injected aliquot If the injected volume will vary among standards and unknowns an Injection Volume can be input for each sample If a predilution of stock standards is to be injected Dilution factors can be entered to compensate for the dilution of the injected material If standards and unknowns are to be weighed out for injection a Weight factor can be input for each sample Note that if Injection Volume or Weight factors are input for any individual standard th
118. Ally Chromatography Manager Operators Manual channel is to be used as an edit only channel Acquire mode should not be checked since no data acquisition can be performed only Reprocess mode can be used In the area marked Position you can set the defaults for the number of rows to be processed in the batch table by clicking inside the Start or End entry fields and typing a row position number Regardless of how many rows are actually entered into the batch table below these entries will force execution of the batch within the defined range of rows unless changed manually before starting the Sequence In the area marked Options click on the check boxes for Suppress Integration or Suppress Calibration to set these functions on or off for the default sequence file These check boxes override any specific integration or calibration instructions entered in the methods being run in a sequence or in the sequence table itself Click the Validate checkbox to specify sequence table validation as the default With Validation enabled all the parameters specified in the sequence table existence of methods integration files calibration files etc will be verified by Data Ally when a Sequence is started before actually attempting to perform the first method to be sure all the required information is available to perform the entire sequence of operations as stated To enter a description for the default Sequence file click File on the top co
119. C Top List Files of Type Drives Chromatogram Data File c ms dos_5 Utilities Description HPLC1 Timebase HPLC1 Figure 5 16 Loading a Chromatogram In Configuration Graph Screen Select a pdf Data Ally data file file from any directory or disk using the dialog and click OK to load this chromatogram file into the Graph window The chromatogram will appear labeled with any integration codes peak names and other annotations The normal default directory specified for the Data Ally software is a directory named C Data Ally This directory path will be selected first when you utilize the File Load dialog By using this dialog to load a file from a different directory or disk path you can reset the default path for loading chromatograms WHEN YOU EXIT AND RESAVE THE CONFIGURATION FILE FOR A TIME BASE THE FILE LOAD AND SAVE DIALOGS WILL BE DEFAULTED TO THE PATH DISK DIRECTORY FROM OR TO WHICH YOU LAST LOADED OR SAVED A CHROMATOGRAM FILE This is a convenient means of resetting the default file handling commands if you wish to primarily use a directory other than C Data Ally Note that you can always select any path for file transfers using the Graph Files commands in the Data Ally software regardless of the default path settings Configuring Default Edit Functions Click on the Edit command on the Graph top menu bar to see the Edit submenu in configuration Although all the commands are available including Cut Defin
120. CE TABLE since presumably a different set of peaks is being defined Therefore you should be certain the previous Calibration file has been saved before using Setup if it is to be preserved for later use If you use Setup to change only the number of levels the existing calibration Reference Table and Calibration Table data will be retained with the loss or addition of any levels specified If levels are removed their data will be lost from the associated Calibration Table It is possible to modify the Reference Table of an existing Calibration file without using Setup if the same set of peaks is to be used for the new table To change the peaks themselves the types of calibration ES ISx or none and the identity or number of Internal Standard peaks as shown in the IS column simply load the referenced Integration file make the desired changes in its Peak Table and resave the modified Integration with the same filename the changes made will automatically be echoed into all Calibration files with Reference Tables using that Integration file To change information other than the peak definitions you can directly edit the Reference Peak Table at any time gt To use Setup again to change the number of levels in any existing Reference Table without clearing the entire contents of the Calibration file bring up the Setup dialog and change the No of Standard Levels entry To do this you must not change the Integration file reference before
121. Calibration file click on File in the Command Menu bar and then click on Clear The Clear Select submenu will appear Figure 10 13 HPLC1 lt lt Ready gt gt Load Calibration 4 Reference Ta Load Default default cal EXE RT Pi Calibration Description A 1 em Clear Calibration Clear All 2 Save Calibration Clear Reference Table P Save Calibration As Clear Point Table 4 Print Calibration 2 Setup Calibration Calib Calibration Table caltest cal Peak One unites em Conc bi Int File Cg Filenam ILE Figure 10 13 Clear Submenu for Calibration Files Click on the desired command to clear either or both tables If the previous file has been edited and has not been saved or resaved an information message will appear before this file is cleared asking if the previous file should be saved If so click on YES and assign either the same filename or a new name as desired If you do not wish to save the edited file click on NO to proceed 201 Data Ally Chromatography Manager Operators Manual 10 5 3 Saving Calibrations gt To save a modified Calibration file using the same filename click on Files in the Command Menu bar and then click on Save A trap message will appear prompting for confirmation that file should be resaved with the current name overwriting the previous file Click on OK to proceed and resave the file s internal version number will be updated gt To save a m
122. Check the RS232 port number in the following section of the Data Ally CFG file sys com Base 1016 760 1000 744 IRQ 4 3 4 3 Port 2 NOTE port 2 means comm2 port 1 means commz1 etc NOTE The computer should have a 16550A or compatible serial port Use MSD diagnostic to verify the computer s RS232 ports if you are not sure 256 Data Ally Chromatography Manager Operators Manual 16 Data Ally System Security amp Log On Feature 16 1 0 System Log On When you first install Data Ally and boot up for the first time the Administrator is prompted to enter his name and password Please make a note of the name and password used as it is not visible after it is entered into the system TB1 lt lt Ready gt gt Administrator File Edit Math Display View Print Welcome to the Pyramid Chromatography Manager In the following dialog you will be asked to provide information about the System Administrator Utilities Figure 1 System Security Startup Greeting Dialog 16 2 0 Adding Users Once the Administrator has entered his or her name and password proceed to the Utilities screen and Logon as the Administrator Then choose Edit Users The Set Users dialog box will appear as shown in Figure 3 Click on the Add button to add a new user and set the new user s access levels TB1 lt lt Ready gt gt Administrator Configure Quit Utilities pyramid cfg read only Update Confi
123. Chromatography Manager Operators Manual 5 2 1 Selecting Configured Components The current Configuration screen is for the live time base now named TB1 To set up its parameters click on Component and then on Component Setup to begin configuration The Component Set dialog box Figure 5 3 will appear TB1 lt lt Configure gt gt File Component Configuration pyramid cfg Grapt Set Components Installed Components TB1 Timebase TB1 rau i Figure 5 3 Component Set Dialog Box A list will appear in the box showing all the currently enabled objects in the current time base For a new Data Ally system only two objects will be shown in the listing the current time base called TB1 or TB2 and one analog detector input called Det1 If instrument control options have been included the drivers for each instrument will also be shown Begin by selecting the top item the current time base object by clicking on it with the left mouse button to highlight its name Click the SETUP button to view the Setup Dialog for the System or time base window Figure 5 4 TBI lt lt Configure gt gt File Component Configuration pyramid cfg Set Components Set System System Name sw H ardware Interface Module 1 I Additional Inputs from Interface Module Figure 5 4 Time Base Window System Setup Dialog This dialog provides information describing the current ti
124. Data Ally Chromatography Manager User s Manual NET Uae Data Ally Chromatography Manager User s Manual Contents lulu i LL EL ae ae A 7 License A Preemernt u iter te Te PR FRE EEHEREEAE VERIS E X ERE EROR EU RARE ERE DER er ree nrbes 11 1 0 Introduction Data Ally Chromatography Manager sese nennen nennen rene 13 2 0 Data Ally Specific tions 4 aceite teste tti Eee eee bite ASE eie e ire esee veas 14 2 1 0 Number of instruments reme e eder cn edipi ee ee pee e ri eee eta 14 2 2 0 Signal Inputs AcquisitiOD 2 ote ree feret tene ertet t er rre cerni 14 AA Grapes E Y 14 D4 Methods i one RUE ede denis eta E leeds itil eth Suis eed elena 14 2 5 0 Integration Peak Identification eseessssessesseseeeeeen ener enne enne nennen trennen trennen eren enne enne ene 15 2 0 0 Calibratlo er 15 2 1 0 Batch Op rations 25 e oo SR o RU eR dini itm pesi ne is 15 2 8 0 Report 5 aite ted eI itte tee Iiis e INE etie ee ivi ooo 16 29 0 Piles Handling eee ne ee bee nh bue ap ee bep eerte 16 3 0 Installing Data Ally Chromatography Manager ssseseseeeeeeeeeneenne eene nennen nennen trennen rennes 17 SV On Contents ERLE ote terre Ee ere ror e e ei e eo e a e edente 17 3 2 0 Installation ee om EM RE Oo pP RO ET eher 17 3 2 1 Install the Data Ally Catd ei Ree er Reate adit eee 17 3 22
125. Data Ally W95 DAIRQ DOC Data Ally Chromatography Manager Operators Manual 2 0 Data Ally Specifications 2 1 0 Number of instruments Available One Active Edit Pair Analog Inputs per 2 Digital Inputs per 2 Contact Closure Relays Out per 4 Contact Closure Relays In per 4 Serial I O Ports per 4 Analog Pump I O Ports per 2 2 2 0 Signal Inputs Acquisition Analog Effective Sampling Rate per 0 0001 Hz 400 Hz Maximum Input Range 1 V 10 V Signal to Noise at 1 Hz 25 bits Signal to Noise at 200 Hz 20 bits Digital Effective Sampling Rate per Input Maximum Input Range 1 V 10 V Maximum Run Time Based on available disk memory Raw data file size 4 10 bytes point depending upon file configuration 2 3 0 Graphics Realtime Displays Up to four signal inputs per plus up to 12 saved reference files Hardware control profiles Configurable status information box Split or multi pane displays Monitor function for display of any combination Autosizing or fixed scale scrolling Unlimited zoom rescale and offset in real time Editing Comparison Up to 16 files at once Reposition stack swap functions Switchable colors attributes filling on display Baseline and zone code markers Peak names and numbers 2 4 0 Methods Number of Method programs Unlimited any path combination with one default 14 Data Ally Chromatography Manager Operators Manual Maximum number of timed event steps per Method Unlimited Maximum
126. Defined Names Used in Report Templates e Dde Cells Every cell in the report template containing a DDE name must be separately listed in a Dde Cells separated by a comma with the exception of cells which are contained within the ranges of Table Origin or within Summary Origin This is essential for proper operation of DDE when reports are produced Regardless of where or how many times any DDE field is placed all its cell references MUST be included in Dde Cells It makes no difference in what order these fields are listed but each DDE field must be separated from each other with a comma Since selection of cells by dragging the cursor results in ranges includes a colon the procedure in section 14 2 5 3 must be followed instead e Dde_Cells1 through Dde_Cells9 Since defined names have room for a maximum number of fifteen or so cell references additional defined names may be used to list all the DDE fields The defined names reserved for this purpose are Dde Cells1 through Dde Cells9 It makes no difference which of the Dde Cells names are used for which DDE field It is convenient if all the DDE fields listed in a name are grouped together If the particular Dde Cells name is clicked on in the name box the spreadsheet will 232 Data Ally Chromatography Manager Operators Manual scroll to the first DDE field and all of the DDE fields listed will be highlighted for inspection These are also comma delimited multiple selections of cells Print T
127. Dispenser Controlled Injection Mode seen nennen rennen 245 15 1 9 Pressure Controlled Injection isinsi is e enne Henne nennen rennen enne 245 15 1 9 Marathon Error Codes nie eee tp Hte iere rei eire lb te Er ne 245 15 2 Kontron 460 Autosampler sse ete eR DEDI n Ud eC RU EU Rn ipei eR UR oes 245 15 2 1 Setting up the Kontron for Remote Control esee 246 15 2 2 Connections Between Data Ally and Kontron 460 essere eee 246 15 2 3 Working with Kontron 460 Series Autosamplers sese 246 15 2 4 Kontron Autosampler Sequence Control Issues eese 247 15 3 Detectors PEE 247 15 3 1 General Instructions for connection of detectors to Data Ally eee eeceeeesecesecesecnseceeeaeeenes 247 Data Ally Chromatography Manager User s Manual 15 3 2 UV and Fluorescence Detector Control eese nre 248 15 3 3 Controlling the Antec Decade Electrochemical Detector esee 248 15 3 4 Controlling the ESA Electrochemical Detector eseeeeeeeeeeeeeee nennen eene 249 15 4 Photo Diode Array Detectors sirere eee er mte odit e e e Rape p ei p IHRE 253 15 4 1 General PDA Formulas used for Spectra Similarity and Purity Plots sess 254 15 5 LabAlliance Model 506 or Linear 206 UV Vis Control Installation Instructions 255 16 Data Ally System Security amp Log On Featu
128. E E Sequence __ m Custom Colors Calib ES EN ES um Utilities HPLC1 Figure 5 52 Button Title Color Select Dialog Again a new color can be applied to any individual button as above Each column header button can be titled and colored independently of all other buttons using the button edit pop up If you wish you can also change the colors and titles of the COPY CUT PASTE INSERT DELETE FILL HOLD CLEAR and METHOD buttons below the table by using the RIGHT mouse button to display the same Button Edit Pop up dialog You can change the relative order of these buttons within each group of three on the screen by drag and drop in the same manner as reordering the column header buttons You can now proceed if you wish to enter an actual Events Table program for the default Method file This could be as simple as a one line program with hold for inject input flag S programmed at 1 Sec or as elaborate as a complete standard pump and detector control protocol with timed integration codes You can type directly into table cells or use the spreadsheet or FILL functions for cells or ranges The Clear Method command in the Default Method File submenu can also be used to clear all existing Events Table entries See Section 8 3 below for a complete explanation of Events Table programming Any program entered in the default method will always appear as part of this file automatically when the current time base is i
129. Edi Math Dieplsy O Pyramid ep Saale t Bookmark Heb Graph Method agen Help Instructions Help Features Unique to Pyramid Qc oT Files Overview ndows Help ial Topics Using Help 4 les to Help Topics Integ elp Instructions Help Files Overview Using How To Tutorial Topics Help Files Overview i Help Instructions gites Calibration Screen Index Pyramid Help Index HPLC1 Sequence Table Number of nic AXIN ySte D HPLC1 ix Change the System Parameters and De Edit Note Select these options before using 4 Calib E S E a m IER sequence Em Ca ca Figure 13 4 Help History Window You can also use the gt gt and lt lt buttons to move one screen at a time through all the available Help topics in the Data Ally Help system Stepping through the available screens in this manner is a good way to get an overview of all the topics which are covered All the other Help functions as well as the overall organization of Data Ally Help are standard Windows functions and operate the same way as for Windows applications of all types in general You can get Help which describes how to use the Data Ally Help system by selecting the Help command on the Command Menu bar of the Help dialog box and then clicking on How to Use Help in the submenu Clicking the Always on Top item in this submenu to checkmark it will maintain the current Help window on top of any other Data Ally display wind
130. Events Table The Pulse mode of operation is set through the system configuration The possible commands are PMV Sets the Guard Cell potential Command Where x Effect PMVx 2000 to Sets 2000mV 2000 any integer between Sets 2000mV 15 4 Photo Diode Array Detectors Photo Diode Array Detectors and Rapid Scanning Detectors that emulate a Photo Diode Array detector are controlled by Data Ally in the following manner 1 The entire spectra scan is captured in a master PDF file 2 One to four individual wavelengths are captured and saved in real time and are also displayed on the upper window of the PDA graph screen as shown in Figure 15 5 The spectra plot is displayed in real time in the lower window of the PDA graph screen The A4Purty XLS template is provided for Peak Purity Reporting 5 Special RS232 Windows drivers are employed along with a 16550 compatible RS232 port to ensure reliable data capture in Microsoft Windows Figure 15 5 Typical Data Ally PDA Graph Screen 253 Data Ally Chromatography Manager Operators Manual 15 4 1 General PDA Formulas used for Spectra Similarity and Purity Plots In order to plot or graph the spectra and Peak Purity and to report the Similarity Index 0 to 1 the following formulas are employed 15 4 1 1 Spectra Display Spectra are displayed at any given time in the lower graph window using the following formulas Sn Sr So Where S Spectrum at time n Sr Raw spectrum S
131. Figure 10 11 HPLC1 lt lt Ready gt gt o 2 a E Calib Calibration Table caltest cal Peak Four Level Conc oi Int File Utilities 4 10 0 EE PFPE m HPLC WA 80 0 Timebase 0 E 4 HPLC1 c it Edit I Figure 10 11 Failing a Calibration Data Point Alternatively you can directly click on any row in the Table to be removed from the calibration and double click its ENABLE cell to toggle that standard replicate on or off S To re enable a point which has been disabled repeat the above procedure and double click on the un highlighted ENABLE cell of any disabled row to re highlight it and re insert it into the curve fit Note that it is not possible to completely delete calibration values from the table under normal circumstances When you have finished designating all points rows to be disabled for the current calibration for all peaks you can either Analyze chromatograms manually in any Graph window using the modified calibration or you can save the modified calibration with the same or with a different filename and then run new Methods or Sequences to process unknowns using the new calibration If you have edited calibration points you will be prompted to save the modified Calibration file before you run a new Method or Sequence or load a new Calibration SAVING A CALIBRATION FILE WITH ROWS DISABLED FOR ANY PEAK S WILL PRESERVE THE DEFEAT OF THOSE ROWS UNTIL THEY ARE RE ENABLED AND THE FILE RE
132. Graph window click on the RT column header button or move the edit highlight into that column click FILL to see the AutoFill dialog Figure 9 8 select Fill From Graph Start of Table and End of Table leaving all other fields and options blank off Lines will be added to the table with RT entries corresponding to the positions of all currently found peaks If the Allow Overwrites Data box is checked any existing RT column entries will be replaced by newly filled entries at the times assigned to such rows 2 To fill Retention Times into a timed region of the RT column from the current Graph window click on the RT column header button or move the edit highlight into that column click FILL to see the AutoFill dialog Figure 9 8 select Fill From Graph Start of Table and End of Table and enter the time range for filling RTs into the First Time and Last Time fields leaving all other fields and options blank off Lines will be added to the table with RTs corresponding to the positions of all current peaks within the specified time limits If insufficient blank lines exist in the current table to fill all the RTs in the region given the Allow Insertions box must be checked 2 To fill Retention Times into a range of rows in the RT column from the current Graph window click on the RT column header button or move the edit highlight into that column click FILL to see the AutoFill dialog select Fill From Graph Start o
133. Image The Cut command allows you to easily transfer the currently displayed chromatogram image in the active Graph window into the Windows clipboard or directly into a DOS file which can be passed to another software application or saved for later use Cut operates on the complete image in the active window which should be rescaled zoomed and otherwise adjusted exactly as desired before using this command HPLCI lt lt Ready gt gt File Ma Math Display View Print Cut Graph c pyramid pdf 987 571 pdf Analyze File E Calibrate Define Baseline gt Define Zone Codes gt Integrate Sequence Calib Figure 7 25 Cut Image Command gt To cut a copy of the current Graph image to the Clipboard begin by making sure the image on display is totally suitable If not make whatever changes are needed using the Graph Edit 121 Data Ally Chromatography Manager Operators Manual Graph View or Graph Display commands Then click on Edit and then on Cut in the submenu Figure 7 25 The current image will immediately be copied into the Clipboard where it will remain available for pasting into any other compatible application The image will remain in the Clipboard until you either clear it cut or copy a new image to the Clipboard or exit Windows 7 4 0 Math Functions The Math functions on the Graph Command Menu Bar Figure 7 26 perform mathematical operations and manipulations upon one or more chromatograms
134. LIBRATION pdf cal Filename DESCRIPTION Ipd f cal Description Pesk No PeakName tpdtresultelpei resufts table Figure 14 2 Examining an Excel Worksheet Report Template 14 1 3 Elements of a Report Template File An Excel report template file for Data Ally usually contains several elements e Acommon header section with information about the user the analytical system the method etc e One or more sections containing information about the files used names and descriptions date time of changes etc the operator name position etc or other data concerning a chromatogram run e A table section in which run data peak numbers names areas heights concentrations other parameters is summarized in a tabular format with a top title line and a sum line at its bottom giving totals for certain parameters in the table 229 Data Ally Chromatography Manager Operators Manual e Anembedded graphic s or chromatogram s occupying a specified range of cells in the worksheet The image of one or more chromatograms can be directly imported from Data Ally into Excel via DDE also certain other information such as peak data could be graphed as a bar chart pie chart or x y plot in a saved report with the aid of user programming e Individual or groups of calculated fields which utilize various data elements from Data Ally for performing some calculation
135. Le Figure 10 2 Reference Peak Table Window The Reference Peak Table actually specifies the calibration basis curve fitting for multiple level calibrations units number of possible standard concentration levels and concentration target values for standards at each of those levels The type of standardization external or internal standard internal standard references for each peak is actually defined in the Peak Table of the referenced Integration screen This means that a single Integration screen Peak Table can have multiple associated Calibration files each with its own specific calibration instructions and responses In order for a successful calibration to be completed both the Integration file and Peak Table appropriate for the current standard chromatogram which identifies all desired peaks correctly and specifies which peaks are standardized and in what modes and one Calibration file which references that Integration Peak Table must be loaded in memory When you load a new Calibration file you will be automatically prompted to load the actual referenced Integration file if this has not already been done Alternatively when you perform a manual or Method based calibration using a loaded Integration file Data Ally will automatically make sure you have in fact also loaded an adequate Calibration file which references your Integration file A new Calibration file can be created by modifying an existing Calibration file or the defaul
136. Level Click OK to proceed with the manual calibration HPLC1 lt lt Ready gt gt File Edit Math Display View Print Calibrate Correction Factors internal Standard Amounts Cancel Dilution 10 0 IS1 100 0 4 578 LastPeak 28 Sample _ Name New Std No Calibrate f Level IN Report Template s Filename Figure 10 9 Using Manual Calibrate Function to Process a Standard Chromatogram Click the Calibration SoftButton to view the Calibration screen the previous Calibration Point Table and Plot will be updated with a new row point corresponding to the newly processed standard chromatogram All its relevant data will be shown in the Point Table 10 3 2 Reviewing the Calibration Point by Point Since the Table and Plot are interactive it is possible to examine the nature of each individual plotted point in detail by graphic selection First click inside the Reference Peak Table window to make this the active window and use the scroll bars to select the peak of interest with the highlight and to update the Table and Plot windows 197 Data Ally Chromatography Manager Operators Manual S To select a point in the Plot make the Plot Window active by clicking anywhere inside it Now move the pointer cursor to the point about which you would like information and double click the left mouse button on that point If the Plot window is too small and the points too c
137. Like the other Graph Display parameters the state and contents of the Status Box can be preset and associated with each individual Method so that it automatically assumes a given default state whenever that Method is loaded 7 6 4 Monitor Time Bases Function There are two means by which Data Ally allows an operator to monitor the progress of active detector methods or reprocesses in more than one time base at once on the same screen the MONITOR button at lower right of the GRAPH window Section 7 1 2 and the Monitor Time Bases command in the Display submenu Figure 7 31 Both have exactly the same function and both are only effective if the Data Ally system is configured for two or more time bases To use the Monitor Time Bases command to place two windows showing two different active time bases on one display screen click on the command The GRAPH window will split horizontally into two panes each showing one of the two time bases Figure 7 41 HPLC1 lt lt Ready gt gt i File Edit Math Display View Print Graph cApyramidipdfi987 571 pdf Help Status Box Graph 450 UV Vis Elps Time Method Integ Minutes i ctpyramidipd 987 S t pat ZCD cipyranidipdticalt iz pdt Calib Utilities Timebase III Ei Eg E E zi Figure 7 41 Monitor Time Bases Screen Display 132 Data Ally Chromatography Manager Operators Manual All actions in either time base will now be observed on
138. Manual automatic ramping of values linearly between consecutive entries such as X FLOW or OVEN filling of intermediate values is not necessary to set gradient functions There are four general ranges for filling functions e Start Row Current Cell End Row To Next Entry this selection will cause filling in the selected mode based upon the highlighted cell value into existing or newly inserted blank lines up to the next currently existing entry in the column e Start Row Current Cell End Row End of Table this selection will cause filling of entries into all remaining rows in the current column based on the highlighted cell according to the mode selected and the value set for No of Steps e Start Row Start of Table End Row To Next Entry this selection will cause filling in the selected mode from the first row in the current column into existing or newly inserted blank lines up to the next currently existing entry in the column If the highlighted cell is in the top row of the column when this command is used its effect is identical to that of the Current Cell to To Next Entry range This setting is most appropriate when using the Fill From Graph mode for Zone Code entries e Start Row Start of Table End Row End of Table this selection will cause filling of entries ranging from the first column row to the end of the table according to the mode selected and the values set for No of Steps
139. Often a list box will be used to highlight or select one or more items from the listing using the mouse If the listed items fill up all the empty lines inside a List Box there may be more items which are hidden and which can be viewed by scrolling the box down with the lower scroll bar arrow If one or more items in the box must be highlighted to make a selection you can click the left mouse button when pointing at a desired item to toggle the highlight on or off for that item Entry Fields Entry fields are intended for entering typing values for various parameters An entry field for filename to be loaded appears above the list box in top left of Figure 4 3 To use an entry field box click the left mouse button with the pointer cursor anywhere inside the box The flashing vertical bar symbol will appear inside the box Now type in the desired entry You can use the Delete key to delete the entire entry in the box or use the Backspace key to backspace out incorrect characters entered If you double click inside the entry box the entire contents of the box will become highlighted typing any characters now replaces the old contents Note that you can also position the I bar entry point at any character within the field for editing Any entered characters or deletions will appear immediately after the entry point It is also possible to move the entry point from the keyboard within a field one character at a time by pressing the left o
140. Orientation Paper 1 Portrait Size Legal 8 1 2 x 14 in A C Landscape Source Upper Tray Figure 7 44 Printer Setup Dialog 134 Data Ally Chromatography Manager Operators Manual Click on the appropriate radio buttons to select either the current printer or select a new printer from the list of Print Manager compatible printers If you wish to change the orientation for the printout the page size or the paper tray used click these options as desired Click OK when you are finished You can also click on the Options button at center right to make additional modifications in the printout with the Print Options dialog Figure 7 45 11 HPLClK Realp wd it Math Display View Print W I Greph cipyramidpdtmanhp3ep t Teih o o g g E AD E Gray Scale Photographic Images 2 pPrintR C wi Cu E Cini O Long Edge Duplex Printing O None O Short Edge IX Inch r utput Bin O Upper O Lower Figure 7 45 Print Options Dialog Use the Options shown specific to the current printer driver to change the appearance and handling of printouts as desired When finished making changes click on OK or Cancel NOTE THE PRINT TRUETYPE AS GRAPHICS CHECK BOX IF SHOWN MUST BE CHECKED IN ORDER FOR Data Ally PRINTOUTS TO BE PROCESSED CORRECTLY The settings made in the Chromatograms dialogs will remain in effect to control manual chromatogram printing until they are changed aga
141. SAVED AGAIN 10 3 4 Changing the Calibration Curve Fit You can change the type of calibration curve fit performed for any peak at any time using the Peak Reference Table S To change the curve fit type for a peak click inside the Reference Table Window to make it active click inside the desired peak s FIT column cell and change the entry as desired Press ENTER TAB or CTRL arrow or click inside any other cell to make the new entry A dialog box will appear advising that the calibration is being changed and prompting for approval Click OK to proceed with the change the curve fit will immediately be recomputed and the new Plot drawn Clicking Cancel will circumvent the change and restore the previous entry You can change the fit type as often as you like in this manner When the desired fit is determined you can manually process chromatograms using Analyze or save the modified Method file and run new Methods or Sequences to process unknown samples 199 Data Ally Chromatography Manager Operators Manual The FIT parameter only changes the curve fit mathematics used if more than one level of standards have been run and included in the Table If only a single level is present the FIT column button will be non functional until additional levels are entered 10 3 5 Changing the Calibration Basis Each peak in the Calibration file can have its own individual basis for calibration either area or height You can change the basis for
142. Sequence Figure 11 4 Sequence Files Menu 11 5 1 Loading Sequence Files To load a saved Sequence file from disk memory into the current channel click the left mouse button on Files in the Command menu bar and then click on Load A directory dialog box will appear which lists the Sequence files SEQ available in the current directory path for this channel Figure 11 5 Select the desired file by clicking on its name in the directory list or by typing its name into the entry box Click on OK to load the new file HPLC1 lt lt Ready gt gt Senuenre default se ad nnls LOAD SEQUENCE FILE File Name Directories c pyramid Gees gt pyramid anticon5 testmet2 seq catechol Read Only Imws C3 orgacids pdf C3 program pyrtemp List Files of Type Drives Sequence Files seq c ms dos_5 Description Figure 11 5 Sequence Files Load Dialog If the previous file has been edited and has not been saved or resaved an information message will appear before the new file is loaded asking if the previous file should be saved If so click on YES and assign either the same filename or a new name as desired If you do not wish to save the edited file click on NO to proceed To load the default Sequence file programmed during Configuration click the Load Default command in the Files submenu the default sequence will be loaded and will overwrite the previous Sequence file in th
143. Sequence 2 To use your Method to automate processing of a batch of sample runs using an autosampler you can create a new Sequence using the Method along with your new Integration program First click on the METHOD SoftButton to view the top level Method screen Check to see if the name of the new Integration file you have saved appears in the INTEGRATION name reference field s for the active detector s If not click on the arrow adjacent to this field and select the 97 Data Ally Chromatography Manager Operators Manual Integration filename from the listing by clicking on it You can use the same Integration for more than one detector input or use different Integration files for each input S To program your Method for starting via a contact closure from the autosampler you must edit the Events Table for the Method to include an initial wait command using an input flag on the Communications Processor for this time base Click on the EVENTS button to see the Events Table Click inside the TIME column in the first line of the Events Table and type in 0 Then move the edit highlight by clicking inside the FIN column on the first line Click on the arrow button which appears at the right of the cell which will list all the configured input flags for this time base by name Select the REMOTE START flag by clicking on it which will automatically enter the code number for this flag into the first line Click on the METH button below the tabl
144. Title lview cal points table run Date ShortTitle Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal Cal 237 Data Ally Chromatography Manager Operators Manual lview cal points table run Time ShortTitle Cal lview cal points table sample Description ShortTitle Cal lview cal points table sample Name ShortTitle Cal lview cal points table sample Number ShortTitle Cal 14 4 3 Integration DDE Names For Report Heading DDE names referring to fields stored in Integration files int Proprietary DDE Field Range Templates Using This Field lint column Flow lint column Length lint column ParticleDiameter lint parm BaselineDrift Int lint parm DroplineRatio Int lint parm MinArea Int lint parm MinHeight Int lint parm MinWidth Int lint parm NoiseReject Int lint parm Slopelnterval Int lint parm SlopeSensitivity Int lint peaks Rows Int lint retention Time Int lint suit Enable lint unretained Name lint unretained RT lint window Logic Int For Tables DDE names referring to fields stored in Integration file tables int lint peaks enable Row Enable Int lint peaks enable Row lt gt Line No Int lint peaks table cal Mode Int lint peaks table Comment Int lint peaks table is Number Int lint peaks table Name Int lint peaks table rel Code
145. Value First Time min id No of Steps Last Time min Allow insertions Allow progressions Allow overwrites 3 3 EET D oe H 3 Figure 8 7 AutoFill Dialog for Events Table Time Column The AutoFill dialog contains three sets of selections the Operation or mechanism of filling on the top portion the extent or range of filling desired in the middle portion and special Options for filling in the lower portion There are two filling Operations all of which proceed from the specified Starting Row to the Ending Row e Duplicate copy the entry value in the highlighted row of the current column into a range of column cells beginning either after the Current Cell from the Start of Table or at any Specified row number into all the cells in that column until either the Next Entry next row with a non blank cell the End of Table or any Specified row number You can also specify the total Number of Steps cells set a range for copying based on row time designations via First and Last Times or overwrite current information in the range of cells specified by setting the appropriate Options e Increment increment or decrement the value in the highlighted row of the current column by the Step Value and copy it into the next row beginning with the Current Cell or at any Specified row number and proceeding with consecutive increments until either the No of Steps value is met End of Table or until the next existing
146. You can use the horizontal and vertical scroll bars while running to examine any row in the table even those rows which have already been processed The SoftButtons can be used to jump to any other screen or channel and back to the running Sequence display You can also press the GRAPH button at bottom right to select a split screen view of the Sequence table while it is executing and an active top Graph screen Figure 11 3 Click on the SEQ button at bottom right of this display to switch back to the complete Sequence dialog screen 213 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt File Edit Math Display View Print Help Graph c pyramid pdf 987 571 pdf Graph Method Integ OV Vie c lpyramidtpdtiga Sti pdt Calib Sequence Table default seq read only Utiliti UV Vis UV Vis UV Vis dd ESOS Method Cg File Int File Rpt Template g t uv uv int m Li 1 v dat Timebase 2 t uv int HPLC1 t t Edit t 5 t t Timebase 6 t t t t Edit ra QU SERE ee C VR RR E Lr ES e BEL ER sed ESSE Figure 11 3 Split Screen Sequence Table with Graph When a Sequence is executing the Status Box can be placed on screen to monitor the progress of individual Methods and the entire Sequence While between Methods or while holding at the start of each new Method the input signal Status registers will be live and will show the actual signals being read in
147. ader button and completing the FILL dialog box instructions LEV column entries are numerical only and should not have units designators such as g dl entered as well in addition to a numerical value The UNITS column should be employed for this purpose If you reset No of Standard Levels to reduce the number of level columns present in an existing Reference Peak Table by repeating the Setup command existing LEV column entries in the to be deleted columns will be removed and lost It is usually advisable to program the Reference Peak Table with sufficient LEV columns to represent the maximum number of different standards you may theoretically wish to use for calibration purposes Any subset of levels for any combination of peaks can be programmed in the Reference Table at any time Once you have assigned all the desired level information for your standards for each peak you must save your calibration file to prepare it for use in executing calibrations At least one level concentration value must be defined for at least one peak in order for calibration responses and results to be generated Note that as many different Calibration files as desired can exist at any time referencing the same Integration Peak Table However only one Calibration file can be used in conjunction with any single Integration file at any time A description can be entered for a Calibration file at the time the Save As command is used see Section 10 5 3 below 184 D
148. al instructions relevant to the entire Method and an Events Table which contains specific directions for controlling all instrumentation relay flags and conditional response mechanisms The Method screen display should be considered as a window showing only one part of the overall Data Ally software on a single screen Both the top level screen and the Events Table are saved together comprising a Method file By loading a saved Method the user can recall all the parameters associated with automatic operation for a particular application at once Methods can be loaded manually or automatically as part of a Sequence Only one Method program can be present in any time base at any one time In Configuration a default Method filename is defined which will always be loaded automatically into the Method screen whenever Data Ally is initialized or when the Method screen is cleared Configuration also permits many of the settings display fields and options in the Method screen to be enabled or disabled allowing total customization of Method contents for each individual time base The contents of the default Method file can be changed at any time by reconfiguring It is recommended that each user set the default file for the most common run conditions which will minimize the amount of additional programming needed later on 2 To run the currently loaded Method program at any time click on the RUN SoftButton at bottom right The system will imme
149. all parameters related to batch analysis and reprocessing and the use of an autosampler The contents of this screen may vary depending upon which if any autosampler has been designated in the Components list TB1 lt lt Configure gt gt Administrator File Name default seq Process Mode Position Reports Options ETE Enable IX Start Enable Enable y Acquire mm x IX Print Ix Validate Reprocess K X Show IX Do Not Integrate IX C Summarize End Ix I Do Not Calibrate Sequence Table default seq S mA mA mA e Calib Im ve Maoa Cg File Int File Cal File I Hist Temp Rpt T Utilities Sequence Figure 5 67 Configuration Sequence Window Default Filename Click inside the NAME field and type the desired filename for the default Sequence file if default seq is not satisfactory The name extension seq will be added automatically Alternatively use the File Assign function in the top command bar menu to assign an existing Sequence file on disk as the new default file and format in the same manner as described above for the other default program file types Inside the area marked Process Mode click on all the options to be available in Sequences in this time base and click the Def box to mark which mode will be the default The Acquire mode is for capturing live run data and is necessary for connection to chromatographic instruments If this 82 Data
150. alog for the Calibration Reference Table Figure 5 65 79 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File TEL calibration Curve I Reference Table defautt cal_ RT Peak Name IS Configure Reference Table Columns Graph Selections RT Retention Time Method Peak Name Peak Name IS Internal Standard Number Integ Cal Calibration Mode Basis Basis Fit Curve CET ol Sequence M Unit Concentration p Lev1 Nominal Concentration Leve Inamed gt A Lev Nominal Concentration Leve F i 7 Int Fil IS Are IS salt Lev3 Nominal Concentration Leve us i E Lev4 Nominal Concentration Leve Utilities HPLC1 Timebase HPLC1 Edit Lel om Figure 5 65 Configure Calibration Reference Table Columns Dialog The RT Peak No and Peak Name columns are imported from a corresponding Peak Table screen at the time a calibration file is established You can select which of these items to show in the Reference Table by enabling highlighting or disabling them A series of Level columns are also available according to the maximum number of levels you have permitted in Setup You should select only those column functions in the Reference Table that you will wish to use to change the way calibration data are interpreted for your applications Columns representing those parameters which will always remain fixed should normally be omitted by
151. am file records if and only if such information exists You can of course change any of the default reporting settings when running Data Ally but it is usually good practice to specify the most commonly used reporting type as the default Do not specify a default report file name if you plan to frequently use different report file specifications Note that the contents of the boxed areas marked Correction Factors and Internal Standard Amounts are actually determined by how the master Calibration screen setup is performed below Section 5 2 5 4 If you wish to specify defaults for different types of correction factors from those actually shown here or for a different number of internal standard peaks you should first click the Calib SoftButton in the left column and reset these items in Calibration screen configuration When all desired defaults are entered correctly click OK to save them if you have specified a report in the default settings the system will attempt to produce that report with any currently loaded chromatogram Now click Edit in the Graph top bar menu and then on Calibrate in the submenu to see the Calibrate Default dialog Figure 5 20 HPLC1 lt lt Configure gt gt File Edit Math Display View Print Calibrate ae Correction Factors Internal Standard Amounts Dilution i isi pee No _Deser Descr Calibrate Level n New C Average Rep Lev Report Template Filename Pri
152. an VtoV zone code on the time axis Then move to the end of the negative peaks region and click again to drop a Reset code Continue to graphically indicate regions for peak quantitation in this manner when complete click the right mouse button to redisplay the edit pop up 7 3 4 2 Moving Zone Codes You can change the current chromatogram view without leaving Zone Code editing mode in two ways Moving the pointer to any edge of the Graph window will cause the chromatogram to pan in that direction by approximately one third of the screen scaling Panning can be done while you are drawing moving or clearing codes Clicking on Zoom in the pop up edit menu will enable rubber band zooming without leaving editing mode enabling you to zoom or unzoom to a new view as required When done zooming you must click the right button and use the left button to uncheck Zoom in the pop up menu before continuing your editing S To move Zone Codes which are already present click the right mouse button to show the edit pop up menu Figure 7 19 and click the left button on Move Codes A hand icon will appear instead of the pointer cursor Move the hand on top of the first code you wish to move and hold down the left mouse button to grab that code Then drag the code to the desired position while holding the button down and release the button when the code is placed correctly Repeat this procedure for moving any other codes To terminate moving code
153. an Access category for that Domain by clicking on an item in the Roles List on the Right Figure 6 amid Chromatogra Manager vjs File Configure Quit Domains Chromatogram Method Integration Calibration Template Calibration Curve Sequence Reporting Figure 6 Set Access Role Dialog 259 Data Ally Chromatography Manager Operators Manual Access Roles The User has an assigned access role for each domain This list is shown in order of minimum access to maximum access role Access Roles are as follows No Access The user has no access in this domain The Softbutton action for that domain will be disallowed Reader The user can only view documents or files in this domain Executor The user can specify documents in this domain Specific Domains e Chromatogram e The user can reprocess an existing chromatogram subject to other access roles Method e The user can execute start an existing method e Integration e The user can integrate if they have appropriate chromatogram access e Calibrate Template e The user can calibrate e Calibrate Curve e The user can analyze unknowns based on the curve e Sequence e The user can execute start existing sequences e Reports e The user can print show reports through excel e Author e The user can create new documents in this domain e Specific Domains e Chromatogram e The user can acquire new data files e Calibration Templates e The user can create new cali
154. anager Pyramid hromatography Manager Figure 3 2 Data Ally Application Group and Icon in Windows Program Manager NOTE MICROSOFT EXCEL V 7 0 OR OFFICE 2000 MUST BE INSTALLED in order for reports to be generated gt To exit Data Ally click on the UTIL left screen SoftButton to see the Utilities screen then click the left mouse button on Quit on the top right command line The Quit submenu will appear If you wish to exit Data Ally and remain in Windows move the highlight to Exit Application and click To abort the quit click on the CANCEL button To quit click on QUIT Figure 3 8 Exiting Data Ally In Utilities Screen When the desired entries appear in the fields and you have checked them carefully click on OK A prompt will appear to confirm that you want to change the current settings and to remind you that you must remember these new settings in order to change anything in the Configure submenu later on Click on OK if you are certain you wish to finalize the changes and that the changes shown are correct If not click on CANCEL to return to the previous dialog box for further changes After completing your installation secure the Installation disks in a safe place where they can be retrieved if the system must be reloaded in the future Please complete the user registration card supplied with the disks and return it to Your Distributor Completing this card will ensure that you receive all future technical bulletins and a
155. anager Operators Manual When a cell has a name associated with it however the name shows up in the name box instead The down arrow to the right opens the name box Then selecting a particular name causes the cells named to be highlighted This is very useful for verifying that defined names have the correct syntax and thus point to all and only the desired cells The name box can also be used to define names However since the Dde Cells name described below requires cells to be listed with comma separators it is necessary to define them using the menu bar to open the Define Name Dialog Box instead 14 2 5 Using the Define Name Dialog Box e Make a pre selection and open the Define Name Dialog Box by clicking menu items Insert then Names then Define At this point one can select a predefined name or enter a new name to be defined in the box at the top The RefersTo box at the bottom of the dialog contains the references for the name In the case of a new name it contains the reference to the current selection See sections below regarding the appropriate methods for pre selection of cells in each case If the contents of the RefersTo box at the bottom is not correct it can be manually edited As with all formulas the first character must be the character When the RefersTo box is correct click the Add button and OK to exit 14 2 5 1 Defining A Named Range e Preselect the range before opening the dialog To preselect a range click on
156. ar remove existing values in an entire column insert a blank row at the beginning of the table place the edit highlight on that row click FILL to see the AutoFill dialog select Duplicate Current Cell and End of Table and check the Allow Overwrites command S To overwrite existing values in a portion of a column with a duplicated value place the edit highlight on the basis row for copying click FILL to see the AutoFill dialog select Duplicate Current Cell End of Table and Allow Overwrites and enter a No of Steps value corresponding to the number of existing rows to be filled with duplicates All other fields and options should be blank off If the 211 Data Ally Chromatography Manager Operators Manual number of steps exceeds the number of blank rows in the column the Allow Insertions box must be checked to add sufficient rows to meet the No of Steps criteria S To clear remove existing values in a portion of a column insert a blank row at the beginning of the range to be cleared or remove an existing row entry place the edit highlight on that row click FILL to see the AutoFill dialog select Duplicate Current Cell End of Table and Overwrite Existing Data and enter a No of Steps value corresponding to the number of existing rows to be cleared filled with a blank entry If the number of steps exceeds the number of blank rows in the column the Allow Insertions box must be checked
157. ar Calibration b Print Calibration Setup Calibration oom CN ERN Calibration Table default cal unname Calib Level Dil Inj Vol Wit Int F Utilities HPLC1 Timebase HPLC1 Edit Em Figure 5 63 Calibration Default File Submenu Now click Setup to view the Calibration Default Setup Dialog Figure 5 64 78 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File s libration Curse TT Beterence Table Help Calibration Setup Graph Method Integ Calibration Table default cal lt unnamed gt Utilities HPLC1 Timebase Figure 5 64 Calibration Default Setup Dialog To create the Default calibration Reference Table a valid Integration program file saved on disk usually the file designated as the default integration above is designated as the model for defining the required Peak Table As for all calibrations defining the relationship between the default calibration file and an integration file establishes a permanent link between the two files so that whenever the model Integration file s peak table is modified the same modification will automatically occur in the default Calibration file Click on the arrow selector to see a listing of all existing Integration files which could be used as models and select one from the list or simply type the name of the selected model file Now set the number of calibration
158. art of the raw data file 7 3 0 Editing Graph Files The Graph screen Command Menu provides many tools which are useful for changing the contents of any chromatogram file or for generating results from any file 7 3 1 Editing Commands The Edit command submenu Figure 7 12 is used to manually edit and analyze the chromatogram file in the current foreground position in the Graph register stack It can also be used to cut the current Graph image directly into the Windows Clipboard for pasting into other documents or applications or to create a new graphic file using the current image 108 Data Ally Chromatography Manager Operators Manual TB1 lt lt Ready gt gt Administrator Math Display View Print Hel Analyze Calibrate Graph c st8 ecd033 pdf Gra Define Baseline b Define Zone Codes Integrate Reintegrate Figure 7 12 Graph Edit Command Submenu gt To use the Edit commands point to Edit on the Command Menu Bar and click the left mouse button The Edit submenu will appear e Analyze Analyze creates a report for the foreground chromatogram using the report type specified in the current Method file This report can be displayed on screen printed or saved to disk memory as a retrievable report file The chromatogram must already be integrated in order to be analyzed via this command Click the left mouse button with the cursor on Analyze in the Edit submenu to show the Analyze
159. as actual signal values for operating detectors or current wavelength values these will be shown in real time in the appropriate fields if the Status Box is active in the current channel s Graph screen it can also be viewed while observing the top level Method The Events Table screen will show both the Graph window with the chromatogram s currently being acquired and Status Box and the course of execution of any lines and events listed in the table As the Method proceeds the table lines will index downward with a highlight on the currently processed row At any time during a Method you can use the scroll bars in the Events Table to change the display to see any line s whether or not they have already been executed The running highlight will remain on the current last executed line as a constant indicator of the position of that line in the Events Table The HOLD button at the bottom of the Events Table can be used to pause the Method at any time 153 Data Ally Chromatography Manager Operators Manual gt To hold or pause the Method at its current status click the HOLD button If the Status Box is active its registers will remain active but all its status indicators except for time and signal input values should remain constant during the hold S To clear a hold and proceed with the current Method program click on the HOLD button again The Method will automatically resume its programmed status at the now current time thi
160. associated with the default Method file HPLC1 lt lt Configure gt gt File Edit Math Display View Print Help Graph c pyramid alis60 pdf Printer HP LaserJet IIl on LPT1 Print Range C Whole Document i C In Sections l Erom 1 Io fi Copies E X Include Printout Info X Collate Copies CETE DESUHTSTE TT EST TS TS TT BEBE BE BEE E EBE EB Figure 5 35 Printer Setup Default Dialog This dialog selects the current printer type the layout of the default chromatogram print the number of copies printed whether the supplementary information is included and allows access to additional setup functions A more detailed and complete explanation of the use of this dialog is provided in Section 7 7 1 below Itis advisable to configure the default for the actual printer to be used with this time base remember that only a single printer can be specified for Data Ally When all printer and layout information is completed as desired for the default click OK or Cancel to keep the existing settings 57 Data Ally Chromatography Manager Operators Manual Click the Graph Print top bar menu command and then Printout Info to default the desired chromatogram information to be included on printouts in this time base The Printout Info Default dialog will appear Figure 5 36 HPLC1 lt lt Configure gt gt File Edit Math Display View Print Help i Graph c pyramid alis60 pdf Printout Info Graph Syste
161. ata Ally Chromatography Manager Operators Manual S To save the Calibration file with the newly edited Reference Peak Table use the Files Save As command Section 10 5 3 below Once a Calibration file is saved it can be called automatically in any Method or Sequence for updating or use in results quantitation 10 2 1 6 Using FILL Functions in the Reference Table The standard AutoFill functions are accessible for completing entries in the BASIS FIT UNITS and LEVx columns in the Calibration Reference Table Use the FILL button at bottom right of the Reference Table window to bring up the AutoFill dialog after selecting the desired column to be filled by clicking on its header button The AutoFill dialog Figure 10 5 operates in exactly the same manner as that provided in the Events Peak and Sequence tables A complete explanation of the features of the AutoFill dialog is found in Section 8 3 In the Calibration Reference Table the Duplicate mode is active for the UNITS BASIS FIT and LEVx columns Increment mode operates on the LEVx columns only and there is no Fill From Graph mode The following actions can be performed using the AutoFill dialog S To fill an existing row s value into all currently empty rows in the column up to the next entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Duplicate Current Cell and To Next Entry with all other fields and options blank off
162. ated at any time as long as that file s Reference Peak Table matches the Integration Peak Table used to find and identify peaks NOTE THAT ANY STANDARD CHROMATOGRAM WHICH WILL BE USED TO PERFORM A CALIBRATION UPDATE THE CALIBRATION POINT TABLE MUST BE INTEGRATED USING THE MATCHING INTEGRATION PEAK TABLE SO THAT ALL PEAKS TO BE CALIBRATED ARE PROPERLY IDENTIFIED To assure that this occurs in some cases already integrated chromatograms must be re integrated with the desired Integration screen Peak Table loaded in the current time base Each time a calibration is performed one line is added to the Calibration Point Table and its corresponding response point to the Calibration Plot for each identified peak Only the found peaks which match the Reference Peak Table specifications and which have a concentration value assigned for the standard level being processed can actually have results accumulated into the calibration For example if a certain series of peaks are not found in a new standard chromatogram the Calibration Point Tables for those peaks will not and cannot have a new line appended representing the results for those peaks in that chromatogram 196 Data Ally Chromatography Manager Operators Manual If Internal Standardization is called for in the Integration Peak Table being used to identify peaks valid entry values for the concentrations of all the assigned internal standard peaks must be present in the existing Calibration Ref
163. autosampler Please review the instructions in the autosampler instruction manual for details on how to set the DIP SWITCH Failure to set the baud rate properly will produce an error 3 on the autosampler display when control is attempted 15 2 2 Connections Between Data Ally and Kontron 460 1 Locate the Serial Control Cable provided and connect the DIN connector end to the Kontron RS232 plug Connect the other end to the autosampler control port of the Data Ally System For a Data Ally P1 P2 Interface Module connect it to the port labeled SER 2 For a Data Ally Personal System connect it to the forth serial port connection This is the top port when the connector bracket is installed vertically in the computer chassis 2 Locate a Flag cable and attach a proper connector to the other end to connect to the connect the DB9 RELAY CONTROL port located on the autosampler Use the REMOTE CONTINUE contact positions 1 amp 6 Connect the other end to the S input on the Data Ally Interface Module or the S input of the Data Ally Personal flag connector 15 2 3 Working with Kontron 460 Series Autosamplers Data Ally provides control over the Kontron Autosampler via the Sequence mode of operation In order to control the Kontron the Kontron control must be configured in by entering the configuration mode and then adding the Kontron autosampler model to be controlled Next while still in configuration you must go to the Sequence screen and click on th
164. ave a Method with a new name click on Files and then Save As The Save dialog box will appear Figure 8 11 Click inside the filename entry field and type in the desired new filename If you wish click inside the DESCRIPTION field and type a description of the new file which may help identify this file in the directory listing for future recall When the correct name and description appear click on OK to save the file to the current disk path If another file already exists in that path with the same name an error message will instruct you to change the filename before saving HPLC1 lt lt Ready gt gt SAVE METHOD FILE File To Save c pyramid default met Save As File Name Directories c pyramid default met c pyramid gt pyramid anticon5 C3 catechol C3 Imws C3 orgacids pdf List Files of Type Drives Method Files met c ms dos_5 Bi Figure 8 11 Method File SaveAs Dialog It is recommended that Method program files saved to disk be backed up by simply copying the MET files to a floppy disk removable hard disk or tape and preserving the copies in a secure place If modifications are routinely made to the library of MET files backups should occur at routine intervals or even on a daily basis 8 5 4 Deleting Methods Use the Windows File Manager Delete function to delete any Data Ally met files which are no longer useful 156 Data Ally Chromatography Manager Operators Manual
165. average response for its unique level Regardless of which of the three modes above is used to update a calibration table every single standard run used for such updates has equal weighting of its data compared to all other standard runs with the overall calibration curve being recalculated at each update from all the available standard results Each new calibration file must have an assigned valid file name which will end with the automatically assigned name extension CAL If the currently loaded Method contains a Calibration filename reference that calibration file will be automatically loaded when that Method is executed If the Method does not contain a Calibration filename reference the Calibration file present in the current channel will be used If no specific Calibration file has been loaded the default Calibration filename if any assigned in Configuration will be loaded automatically Since Calibrations are performed by instructions from a Method Sequence or Graph Edit Calibrate command actual calibration is always done behind the scenes The Calibration file s used for real time or other calibrations need not be loaded into the current Calibration screen display The 176 Data Ally Chromatography Manager Operators Manual purpose of the Calibration screen which is viewed by clicking the CALIBRATE SoftButton on the left Screen is to provide a convenient and accessible means of reviewing editing and manipulating an
166. ay a 5 Graph Method Integ Sequence i B Set Color nts Table default met Le eme Calib Enable Disable Utilities HPLC1 Timebase HPLC1 Edit E E pem a Figure 5 48 Table Button Edit Pop up You can use this button to reset the color or button label title for each specific button in the same manner as previously described To view the complete selection of available buttons click on Enable Disable in the poppa The Configure Events Table Columns dialog will appear Figure 5 49 68 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File O Graph cipyramidialis60 pdf a I 0 0 m Configure Events Table Columns Graph og Selections Keen EC Cmd Electrochemical Detector F In Input Flags Time Time Integ Zone Zone Comment Comment Calib Utilities Uae HPLC1 3 a a D p o Figure 5 49 Configure Events Table Columns Dialog The dialog shows a listing of all the elements which have been set in the current Components configuration which are appropriate for inclusion in the Method Events Table Those currently in the table are highlighted To add new columns click on the names of the desired column titles to highlight them in the listing to remove now highlighted column titles click them again to un highlight When only the desired column items are highlighted click OK or Cancel to retain t
167. been made click OK to return to the Method Configuration Dialog or CANCEL In the boxed area at top right marked Detectors separate rows and fields will appear for all the detector inputs you have chosen in the current Components list for this time base Each can be enabled or disabled by default independently of all others by checking unchecking the box before each detector s name Be sure all the detectors you wish to default as active are checked Each detector can also have its resolution or sampling rate set independently Click inside the RESOLUTION field for any detector and type in the desired value followed by a designator for any acceptable units If only a number is entered in the field the existing units shown in the gray box at right of the field will be used if you have also typed a new units designator the new units will be shown in the gray box after you confirm your entry by pressing ENTER or clicking in any other field on the screen Again if you wish to remove or rename a detector signal input you must return to the Utilities screen in Configuration and modify the current Components configuration settings 63 Data Ally Chromatography Manager Operators Manual The boxed area marked Results lists separate rows for each defined detector input showing the default chromatogram raw data file name to be used a button accessing Reports for each chromatogram and fields to select the Integration and Calibration files to be u
168. box When the desired name is shown click OK to save a new file with that name 89 Data Ally Chromatography Manager Operators Manual 5 3 2 Loading Configuration Files The last Configuration file loaded in Data Ally is assumed to be the file which should be loaded the next time the software is initialized In Configuration Mode you can load any existing cfg file for review or modification or to implement that file to change the system configuration To load a configuration file click File on the top command menu bar and then click Load Config in the submenu The Files Load dialog will appear Figure 5 74 Select a drive path and filename for a cfg file to load and click OK The selected file will be loaded and displayed in all the screens in Configuration Mode 5 3 3 Deleting Configuration Files You can delete Configuration files which are no longer useful from Configuration Mode by using the Windows File Manager there is no direct Delete command within the configuration files dialog 90 Data Ally Chromatography Manager Operators Manual 6 0 Getting Started Data Ally Chromatography Manager is a multitasking data acquisition management and control system for use with computers running the Microsoft Windows 3 1 or Windows 95 graphical user interface One time base is available with two inputs for detectors Each detector can have its own unique Configuration based on the analytical instrumentation assigned to that
169. bration files e Calibration Curve e The user can create a new curve and or add calibrators to an existing curve e Reports e The user can create XLS files e Editor e The user can edit documents subject to future auditing e Specific Domains e Calibration Curve e The user can modify an existing curve including enabling disabling points e Manager e The user can delete existing documents in this domain e The user can control circumvent future auditing of this domain e Specific Domains e Configuration e The user can manage the user list e Example Users e Administrator 260 Data Ally Chromatography Manager Operators Manual e All Domains Manager Access Role e Lab Manager e Configuration Editor Access Role e All Other Domains Manager Access Role e Methods Developer e Configuration No Access Role e Chromatogram Editor Access Role e All Other Domains Manager Access Role e Lab Tech e Configuration No Access Role e Chromatogram Author Access Role e Calibration Curve Editor Access Role e All Other Domains Executor Two additional features have been added to the System Security and Logon Features The new features are listed below 1 Option to enable and disable requiring password and logon 2 Default Button to set a particular user as the default user What ever access rights the default user has been provided by the Administrator those are the access rights allowed while the default user is logged on 2
170. cal and mathematical functions is available These tools are usually accessed via the tool bars located above the top of the worksheet A formula bar appears immediately below the toolbars showing the value entered in the currently selected cell text or formula To the far left of the formula bar is the name box which contains the currently selected worksheet cell reference number in its left corner e g R10C2 for Row 10 Column 2 If the current selection has a name associated with it the name will show up in the name box instead of the cell reference Defined names are employed for a number of Data Ally reporting options Defined names can be used to reference a cell a range of cells or even a Visual Basic procedure Open the name box by clicking the arrow to the right of it to see the names that correspond to cell references See section 14 2 4 To see all the names it is necessary to choose open the Define Name Dialog Box See section 14 2 5 The Excel worksheet has a what you see is what you get display format so that the actual appearance of text graphics and other elements in the worksheet window reflects the appearance of these items when printed A print preview function is available in the File submenu to allow examination of the final format of reports without having to print them When the mouse pointer is inside an Excel worksheet it looks like a white cross It can be used to select any cell or cell range in the worksheet
171. can also select whether or not the reports associated with the Methods to be run as part of a Sequence will be printed or shown on screen In order to print the Print checkbox in top center of the screen must be checked in order to show programmed reports on screen the Show checkbox must be checked Leaving both checkboxes unchecked during a Sequence run or reprocess will cause all reports either printed or shown to be skipped during the entire Sequence Note that you cannot check or uncheck these boxes after a Sequence has been started in order to change the reporting mode during a Sequence The most common utilization of the check boxes for reporting is to defeat reporting without changing the report specifications for any of the programmed Methods for example during a reprocess Sequence in which a recalibration is performed At top right of the Sequence screen is another group of check boxes inside a boxed area marked Options These check boxes are for Validation Suppression of Integration and Suppression of Calibration during the Sequence Checking the Validation box causes the Sequence to verify that all programmed files Method Integration Calibration chromatogram raw data called for during all rows in the Sequence table are in fact present in the defined directory paths This is a useful feature to avoid errors during long term unattended Sequence processing the drawback to checking the Validation check box is that a certain amount
172. case of flushed lop injections 4 Injection valve switches into inject position Sample loop is now part of the HPLC mobile phase flow path sample is transported to the column Analysis time starts 15 1 9 Pressure Controlled Injection Requires Air pressure and uses the Loop Fill Time parameter to determine how long the loop if filled See the Marathon user s manual section 2 for complete details Should you need further assistance contact your distributor 15 1 9 Marathon Error Codes The table below list the Error Code and the Marathon Function associated with them as an aid to Solving any Errors reported during control the Autosampler via Data Ally Code Function Notes 107 Loop Volume maximum of 50 of loop volume 108 First Vial 110 Flush Time 111 PreFlush Volume If you are using the Dispenser controlled Injection only fill in the Pre Flush Volume 150 Vial Number 15 2 Kontron 460 Autosampler The Kontron 460 family of autosamplers can be controlled by Data Ally Parameters which can be controlled are injection volume needle wash vial number selection and the number of injections per vial 1 to 9 245 Data Ally Chromatography Manager Operators Manual 15 2 1 Setting up the Kontron for Remote Control In order for the Kontron autosampler to be controlled remotely by Data Ally the baud rate setting must be set for 9600 baud This is accomplished by setting DIP SWITCH Position 8 to the ON position inside the
173. ce table is Conc 1 to 5 is Seq Iseq sequence table met Filename Seq Iseq sequence table pdf Filename 1 to 2 signals Seq Iseq sequence table pdf rpt Filename 1 to 2 signals Seq Iseq sequence table pdf rpt Template 1 to 2 signals Seq Iseq sequence table rpt Chromatogram 1 Y N to 2 Seq Iseq sequence table sample Description Seq Iseq sequence table sample Name Seq Iseq sequence table sample Number Seq Iseq sequence table sample Vial Seq For Tables Column heading or field label text for sequence file tables seq lview seq sequence enable Row ShortTitle Seq lview seq sequence table auto FillTime ShortTitle lview seq sequence table auto FlushCount ShortTitle lview seq sequence table auto InjectionVolume ShortTitle Seq lview seq sequence table cal Code ShortTitle Seq lview seq sequence table cal Filename ShortTitle Seq lview seq sequence table cal Level ShortTitle Seq lview seq sequence table cal rpt Template ShortTitle Seq lview seq sequence table Comment ShortTitle Seq lview seq sequence table correction Dilution ShortTitle Seq lview seq sequence table correction InjectionVolume ShortTitle Seq lview seq sequence table correction Weight ShortTitle Seq lview seq sequence table Injections ShortTitle Seq lview seq sequence table int Filename ShortTitle Seq lview seq sequence table is Conc ShortTitle 1 to 5 is Seq lview seq sequence table met Filename ShortTitle Seq lview seq sequence table pdf Filename ShortTitle Seq lview
174. cleared and the default Method loaded with the Files Clear command Before modifying or overwriting a Method you should save any changes to that Method using the same Method name or as a different Method Each time you attempt to overwrite a previous Method by resaving it using the same filename a trap message will appear prompting you to confirm that you wish to replace the old Method 8 4 0 Manual Operation After you click on RUN to begin a Method the instructions in the Method program will control the entire operation of the channel while that Method is in process It is possible to interrupt or override the programmed control in several ways which permits you to make changes in the executing Method in real time to manually operate any controllable instrumentation such as HPLC pumps or to pause or hold the Method for any length of time until you are ready to proceed While a Method is running you have access to changing any time dependent steps or events in the Events Table However you cannot change the commands and parameters set in the top level Method dialog after a Method has begun to execute 8 4 1 Hold Function When a Method starts you can observe its progress by viewing the Graph screen with any display criteria desired or you can select either the top level Method screen or the Method Events Table screen with its companion upper Graph window If you have configured the top level method to display information such
175. clicking OK If the new number of standard levels is greater than the old number the existing values in all the LEV columns will be preserved and one or more new blank LEV columns will be added to the Reference Table If the new number of standard levels is less than the old number pre existing LEV columns will be deleted from the old Reference Table along with their contents beginning with the last LEV column present 10 2 1 2 Setting Curve Fit Types for Each Peak The Reference Table defines the manner in which multiple standard levels will be mathematically fit to compute the overall standard response curve for each peak To do this each peak or row in the Reference Table must have a code entry which determines the type of curve fitting to be done for multilevel calibrations The FIT column is provided for this function if the number of levels is set to any value greater than one the default fit type is Linear Regression Each peak may have its own unique curve fitting type code regardless of that used for any other peaks The Data Ally calibration System treats each peak totally independently of all others The following codes are available for programming various types of curve fitting L Linear Regression LO B Linear Regression force through zero Interpolated Point to Point Q Quadratic Polynomial QO Quadratic Polynomial force through zero 181 Data Ally Chromatography Manager Operators Manual Note that if only o
176. commands in the Sequence Table which have not yet been executed including the number of samples or injections the Methods used or other information Sequence Tables can be of any desired length but will usually correspond to the maximum tray size assigned for the current autosampler if this is chosen in Configuration 11 3 1 Sequence Table Functions Unlike the Method and Integration tables the Sequence Table has no graphical editing functions since it is basically a worksheet list of runs to be performed and has no relationship to graphic events The Sequence Table can be edited in a number of ways and a set of FILL functions are available to make programming new Sequences less tedious The simplest way to make any entry in the Table is to move the highlighted edit cell inside the desired cell column and row click to anchor the highlight there and type in the desired value You can use the lt ENTER gt lt TAB gt and PgDn PgUp keys to move around within the Table when reviewing or editing as well as the usual CTRL Home CTRL End CTRL PgUp CTRL PgDn and CTRL arrow 206 Data Ally Chromatography Manager Operators Manual key commands The vertical and horizontal scroll bars at the bottom and right of the Table can be used in conjunction with the mouse to quickly change your position in the Table when editing Each time a new line is added to the Table a new number will automatically be assigned in the ENABLE line number column a
177. concentration or standard levels for the default by either clicking inside the Standard Levels field and typing the desired number between 1 and 16 or clicking the arrow selector and choosing the desired levels from the listing When both the Integration file reference and number of standards are shown as desired click OK to close the dialog and proceed the Data Ally Configuration System now has sufficient information to allow you to fully define the Reference Table If the Integration file referenced in Setup actually contains a defined Peak Table the data from this table will now appear in the Calibration Reference Table It is perfectly legitimate to have actual calibration data saved in the default Calibration file for general use although it will be more common to have only the format of a calibration saved as the default file and to create new Calibration files with specified names by using the Default Calibration as a template only Calibration Reference Table To review and configure this table first click anywhere inside this table window to make it active Then place the pointer on any of the column header buttons in the table and click the RIGHT mouse button to display the Header Button Edit Pop up which is employed in exactly the same manner as the pop ups in the Events and Peak Tables to Enable Disable table column items and change button text labels and colors Click on Enable Disable in the pop up to see the list selector di
178. criptions on each button click the RIGHT mouse button with the pointer on any button to see the button edit pop up Figure 5 48 and then click on Set Title in the pop up menu The Set Button Title dialog will appear Figure 5 51 HPLC1 lt lt Configure gt gt File fie Tn DEE Set Title Graph Title for Input Flags In Method Press Ctrl Enter to start a new line Integ Title Color Sequence Events Table default met Time Calib m F In min Zone Comment Utilities HPLC1 Timebase Figure 5 51 Set Button Title Dialog Enter the modified title on one or two lines as done previously in the Graph screen Press CTRL and ENTER at any time to start a second line The title text can be of any length up to 256 characters but only as many characters will be shown in the table as can fit inside the width allotted for each button If you wish to decrease the size of a given column for example so that more columns will fit on the usual single page Events Table window you may want to use retitling to enter a more abbreviated title appropriate for the narrower column needed If you want to change the title color click the TITLE COLOR button at the bottom of the dialog to see the Button Title Color Select dialog Figure 5 52 70 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File are Graph c pyramidjalis60 pdf Graph Basic Colors C Method L L
179. cted S To fill an existing row s value into all currently empty rows in the column up to the next entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Duplicate Current Cell and To Next Entry with all other fields and options blank off If the basis row is the first row in the column you can select Start of Table instead of Current Cell without highlighting the basis row S To fill an existing row s value into all currently empty rows in the entire column place the edit highlight on the basis row click FILL to see the AutoFill dialog select Duplicate Current Cell and End of Table with all other fields and options blank off To fill an existing row s value into more or less empty rows than the number of empty rows found in the current column up to the next entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Duplicate Current Cell and To Next Entry Type the actual number of empty rows to be filled into the No of Steps column with all other fields and options blank off If the No of Steps value exceeds the number of actual intervening empty rows sufficient new rows will be added and filled to meet the No of Steps criteria S To fill all currently empty series of consecutive rows in the column with the values found in the rows prior to each empty group of rows click FILL to see the AutoFill dialog select Du
180. ctions from the maximum signal point to find the leading and trailing edge thresholds if they exist where baseline slopes fall below the Slope Sensitivity value These points are tentatively marked as begin and end points of the primary peak if they are located The integrator then treats the two segments of the chromatogram before and after the borders of the primary peak in the same manner as above searching for the highest signal value in each segment and then attempting to find borders for each peak based on the Slope Sensitivity threshold This process is reiterated in as many cycles as necessary until the entire chromatogram has been tentatively classified into one of three categories a A peak with defined beginning and end thresholds which meet the Slope Sensitivity criteria b A non peak baseline region which falls between two peaks in category a c A valley or saddle segment which falls between the maxima of two peaks but in which region no leading or trailing edges of peaks can be defined because either the slope sensitivity criteria are not exceeded or because they are not exceeded for a region of more data points than are specified by the Minimum Peak Width value When this stage one integration is complete every potential peak has been found 2 The integrator finds all segments in the chromatogram which correspond to peaks bounded by baseline on both sides From left to right the integrator chooses the first suc
181. ctions may be preset The Graph screen is used to display chromatograms both during and after a run using any of the multiple display commands available from the menu barMENBAR TERM It is used for chromatogram editing mathematics addition subtraction etc and also monitoring real time functions controlled by the system In addition to being selected by the GRAPH key the UMMs epyramid pdfee 87 1 each case the full functionality of the screen is maintained and chromatograms may be displayed with information from other screens Figure 13 1 Data Ally Help Window The overall Data Ally HELP system is organized into a series of topics any of which can be reviewed each time you select HELP The Help topics are indexed by both topic categories and classes and by key words You can move forward or backward to scan through the entire listing of Help topics until you find what you need or you can Search through all topics for a key word or phrase describing the feature or action desired Key words in the Help dialogs can be marked with either a dotted or a solid underline If you click the left mouse button with the pointer on a word having a solid underline the Help system will jump to a new Help topic related to that word Clicking on a word or phrase having a dotted underline will show a definition of that word or phrase All Data Ally Help screens are context sensitive in that they will appear with specific topics ke
182. d especially if multiple Data Ally Interfaces will be running on a single PC HPLC1 lt lt Ready gt gt t Math Display View Bin Gi Chromatogram s h p36 pdf Printout Info Report Figure 7 42 Print Commands Submenu Printers are defined for each channel in Configuration Utilities You can use the Windows Print Manager at any time while Data Ally is running to change the specifications for a current printer but you cannot change the printer assigned to a given Data Ally channel without reconfiguring the system 7 7 1 Printing Chromatograms 2 To print various images of chromatograms in the current Graph Window click on Print and then on Chromatograms to see the Chromatograms Print dialog box Figure 7 43 133 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt dit Math Display View Print Graph cApyramidipdfimanh p35 pdf om j Printer HP LaserJet Ill on LPT1 C Whole Document Current View In Sections Erom E To 3 Comer n X Include Printout Info X Collate Copies 21188 6 21 624 17 Figure 7 43 Chromatograms Print Dialog The Print dialog allows direct printing of various options utilizing the printer noted in its top line Whole Document Prints the current active Graph window as a single page autoscaled for the largest chromatogram loaded in the window Current View Prints the current view of any chromatogram s loaded in
183. d character width of the entries expected in that column you can also effectively remove certain columns without actually eliminating them from the table by reducing their widths to a very small size 9 2 2 Peak Table Components The contents of the Peak Table columns may be configured for any channel so that some column options are not used or the order of the columns is different The column header titles marked Configurable are non essential for running the system and can be omitted from the Peak Table in Configuration if desired The complete set of options are as follows e ENABLE Not Configurable This column is both a graphic indicator selector for whether a row entered in the Peak Table will be used for processing chromatograms and generating reports and a peak number tracking column If the line number cell in this column is highlighted for a given row that row is active and will be used active peaks will be identified as found in reports and calibrated as instructed If the cell is not highlighted that row is inactive and will not be used inactive peaks will still be included in reports but will not be named and or calibrated and no quantitative reports can be generated for such peaks The ON column is useful for temporarily omitting rows assigned to specific peaks if those rows are not required for a given analysis without actually deleting the information in that row S To manually edit the ENABLE column move the point
184. d clearly describe the type or model of the detector to help the operator immediately recognize the nature and source of each signal input At the bottom of the dialog box in the area marked Hardware are entry fields designating the number of the currently assigned Processor Interface Module and the identity of the input on that Module A or B assigned to this analog signal You must return to the System Setup dialog to change the Interface Module number Click inside the Input Signal field and enter the correct input identity A or B for this detector connection if this is not already correct Click on the DESC button to enter a text description for this analog detector input the text can be of any desired length or format Figure 5 7 HPLC1 Configure File Component Configuration pyramid cfg Set Analog Input Set Description Figure 5 7 Entering a Description For Detector Input When you are finished click OK or CANCEL to return to the Analog Input Setup dialog If all entries are correct click OK Click CANCEL to avoid any changes to the previous entries for this detector Adding a Second Detector To specify two or more detectors for the current time base click on the ADD button in the Component Setup dialog Figure 5 3 to see the Add Component dialog box Figure 5 8 39 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File Component Help i Configuration p
185. d to switch between time bases or between program windows within one time base 21 Data Ally Chromatography Manager Operators Manual In some pull down menus some commands may be grayed out at certain times and will not be useable If a command is grayed out it is either inappropriate at the present time or its function has been defeated or disabled by some part of the software It is also possible that certain Command Menu items or even SoftButtons will not be shown at all in channels in which those commands have been hidden by the active Configuration Some command items in pull down menus are followed by a or ellipsis which indicates that a dialog box will be displayed if that command is selected The options you choose in the dialog box will determine how that command is executed Command items may be preceded or followed by a check mark which indicates that the particular command is active or enabled All Data Ally commands can be chosen directly from their menus by using the mouse pointer or by using a shortcut key assignment Where a set of keystrokes can be used to run a command the command will show a notation listing the appropriate keys to its right Not all Data Ally commands can be executed via keystrokes gt To choose a command from a menu point to the command item name with the pointer cursor and click the left mouse button From the keyboard you can also press the ALT key to activate the menu and th
186. dable format 12 1 1 Resetting Configuration To change the configuration file which controls the current setup of the entire system click on Load Configuration in the submenu the Load Configuration dialog will appear Figure 12 3 Select the desired Configuration file from any path or directory and click OK or CANCEL to abort re configuring Clicking OK causes the selected configuration to be initialized the system may time out briefly and show the hourglass cursor while this is happening 218 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt Configure Quit Utilities nvramid ct Ra Load Configuration File Directories am c pyramid autoles cfg E ce autobis c g f pyramid cfgalan cfg manles cfg anticon5 manlis cfg catechol pyr cfg C3 Imws pino ctg C3 orgacids pyramid cfg pyramid0 cfg C3 pdf pyrnew cfg C3 program testl cfg C3 pyrtemp List Files of Type Drives Configuration Files cfg c ms dos_5 Figure 12 3 Load Configuration Dialog Use of the Load Configuration command provides instant and easy access to any alternative programmed configuration For example if you wish to set two different configurations specifying completely different detector inputs and controlled instrumentation representing two totally different HPLC setups creating and saving two specific configuration files which select each of the optional system configurations al
187. ded manually or during live file acquisition in a Method the filename is listed as an icon with a color underline along the bottom of the Graph window The underline color is used to show the trace corresponding to that file The first filename icon on the left side beneath the horizontal Graph axis always denotes the foreground file Other filename icons are listed horizontally across the screen bottom after the foreground file button in up to two rows Each filename icon can be used to directly manipulate that file in the stack S To move a non foreground loaded chromatogram file to the foreground position simply point to the desired filename icon with the mouse pointer hold down the left mouse button and drag that filename icon into the foreground button position When the new filename is in that position release the button The new file will now become the foreground file and is 103 Data Ally Chromatography Manager Operators Manual displayed accordingly All the other loaded files will be shifted in stack position respectively The same technique can be used to directly move any loaded chromatogram file to any stack position for example before performing mathematical operations The Display Swap command can also be used to shift file positions in the stack Offset The filename icons representing loaded chromatograms can also be used to offset any desired files from their normal positions in the Graph window directly gt T
188. detailed configuration changes later to adjust your system to fit your personal preference The generic configurations represent the default settings for each time base The Configuration file loaded at bootup can be modified at any time or replaced by a new Configuration You can always use any existing Configuration file as a template which is modified and resaved to construct a new configuration Although only one Configuration file can be loaded and used by Data Ally at any time you can create as many such files as you desire for a library of instantly available potential software configurations Configuration files are designated by the file extension CFG They are normally saved by Data Ally in a special directory called Data Ally CONFIG In most cases you will only need to configure your Data Ally system once at the time you first install the system and connect your instrumentation If you modify or add to your initial analytical system or your requirements change you may wish to reconfigure Data Ally at that time 5 2 0 Performing a Startup Configuration The following describes the initial configuration of a Data Ally system After the Data Ally software has been loaded click on the UTIL SoftButton F7 in any time base window to display the Utilities access screen Click on Configure on the Command Menu Bar Figure 5 1 to enter Configuration Mode Note that the active window is now labeled Configuration Figure 5 2 and
189. df Figure 7 36 Pumps Scaling Dialog 129 130 Data Ally Chromatography Manager Operators Manual If the Method Events Table in the current time base has a pump control program loaded this dialog will control scaling of the pump gradient traces superimposed on the signal graph window plot Enter the desired values for scaling as in Figure 7 35 and click OK when complete Pump Traces If HPLC pumps have been configured for the current time base a separate command will appear at the top of the Display submenu Pump Traces Figure 7 37 HPLC1 lt lt Ready gt gt File Edit Math BEIM View Print Pump Traces gt pyramid pdf 987 571 pdf Attributes Graph Colors Offset Method Scaling Split Integ Status Swap Sequence Monitor TimeBases Calib Figure 7 37 Display Submenu with HPLC Pumps Click Pump Traces to pop up a listing of all configured pumps Figure 7 38 Click on each pump related parameter total flow or individual gradient percents for each pump to check mark that parameter and display a plot of that parameter on the GRAPH window along with the signal information HPLCI lt lt Ready gt gt CO M Pump Traces Attributes Graph Colors Offset Help Method Scaling Split Integ Status Swap Sequence Monitor TimeBases Figure 7 38 Setting Pump Trace Plotting Traces will now appear as long as their corresponding parameters are
190. dialog box This box gives the filename of the foreground chromatogram and summarizes all options available for processing this file e Calibrate Calibrate manually updates the current Calibration file which can be observed by clicking on the left column CALIBRATE button using the peak information from the current foreground chromatogram The chromatogram must already be integrated to perform calibration with this command e Cut Cut captures the current active Graph window image either placing it in the Windows Clipboard or saving it as a new graphic file with a specified format The image can then be transferred or imported into other documents or applications which may be running concurrently in Windows e Define Baseline The Define Baseline command accesses all Data Ally manual baseline editing functions You can draw or redraw baseline as desired place or move individual baseline peak marker codes or clear codes using the Define Baseline submenus To begin baseline editing click the left mouse button while pointing at Define Baseline in the Edit submenu The Define Baseline Submenu will appear e Define Zone Codes Zone Codes is used to place integration Zone Code markers at any desired position in the current foreground chromatogram and if desired to transfer the codes into the current Method file s Events Table e Integrate Integrate causes immediate integration of the chromatogram file in the foreground register e Rein
191. dialog specifies Absolute windows a time value in minutes or seconds is entered The WINDOW setting must be entered for each row and can have a unique value for each row You can use the FILL function below to fill in Window settings The Data Ally integrator employs the WINDOW along with the RT to distinguish individual peaks when evaluating a chromatogram The time window defined by each RT value in the current Peak Table plus or minus the WINDOW value is examined in each just integrated chromatogram to determine if any peaks appear inside that region If so the largest peak appearing in the retention window is assigned the peak name given in the table Retention windows are permitted to overlap adjacent windows the logic rules being applied separately in each window 2 To manually edit peak WINDOW move the pointer cursor to the desired cell click to highlight it and type in the desired window value along with a units code if needed If no units code is entered the system will assume that the units of the previous entry are used WINDOW values can be AutoFilled or graphically edited see below RRT Code This column is used to designate peaks where the peak windows will be adjusted according to the difference between the expected time and the actual time The windows for peaks that follow will be shifted by the error amount to compensate for any time skew found Peaks are designated by placing an upper case R in this column for any peak
192. diately load all the files specified in the current Method change the Graph display according and begin to display the signals from all active detector inputs in real time 139 Data Ally Chromatography Manager Operators Manual After the Method starts the RUN SoftButtton will immediately change to a STOP button with an octagonal red stop image S To stop the currently running Method click on the STOP button at any time If you do not terminate the Method early it will continue to run until its DURATION time is completed and will then process any resulting chromatogram data as specified The currently viewed display can be any screen Graph Method Integrate Calibrate or Utilities except the Sequence screen when starting and stopping Methods with the RUN STOP SoftButton If the Sequence screen is being viewed the system will attempt to start the currently loaded Sequence instead of the current single Method 8 2 0 The Top Level Method Dialog When you first click on the METHOD SoftButton you will see the top level Method dialog box Figure 8 1 If the system has just been initialized and a saved Method file has not been loaded the screen will show all the parameter values associated with the default Method program HPLC1 lt lt Ready gt gt File Help Method default met read only Detectors Resolution Duration 10 min Ix UV Vis 1o ptus Method keco fio pus Integ Graph Sequence
193. disabling them they can always be restored later on by re configuring As an example if your quantitative methods will always employ peak area rather than height measurements and if linear regression curve fitting will always be used for single level calibration you should disable the Basis and Fit columns and all the Level columns except for Level 1 in the top level calibration configuration you should check Area Basis and Linear Regression fit as the only options This will lock all calibrations performed with this configuration for these settings When selecting the number of Calibration Level columns set the maximum number of different standard concentration levels you ever anticipate for any application using this time base Up to 16 different level columns can be chosen The only drawback to configuring many level columns is that this will tend to slow down redraws of the Reference table window Again if you configure too few levels now to accommodate a future application you can always re configure the time base later when necessary NOTE INORDER TO COMPLETE CONFIGURATION OF THE REFERENCE TABLE YOU MUST SELECT AT LEAST ONE LEVEL COLUMN Otherwise an error message will appear when you attempt to proceed with further configuration or to exit the configuration mode Highlight all the column items to be enabled and click OK to redraw the Reference Table You can now edit the column header button titles colors and column order using the B
194. dit Math Display View Print Method Utilities HDI 04 The Component Set dialog box Figure 5 3 will appear To modify any default color click inside the color box corresponding to the desired parameter to see the Color Selector Dialog Figure 5 25 The color palette can be used to change to the exact color you prefer click on the desired color in the palette to highlight it and then click OK or click Cancel to retain the current color setting The color box on the Colors Dialog will change accordingly When all colors are adjusted close the Default Colors Dialog Figure 5 24 to return to the Graph Window 51 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File Edit Math Display View Print Graph c pyramid alis60 pdf Display Offsets Chromatograms alis60 pdf Top 658417 alis60 pdf Uv vi 5984171 ECD Figure 5 26 Offset Default Dialog Click the Graph Display top menu bar command and then click Offset to see the Offset Default Set Dialog Figure 5 26 This allows you to specify the signal offset level either positive or negative from the true baseline level for display of chromatograms in any of the defined signal input and display registers If one or more chromatogram files are loaded their current offsets in uV will appear adjacent to their names in fields labeled with the detector input names you have configured If
195. ds Relative basis is computed for each unknown peak in each unknown run and then employed to convert the relative RF obtained from the curve fit to the final result 194 Data Ally Chromatography Manager Operators Manual 10 3 2 2 Multiple Level Internal Standard Calibration Linear Regression If linear regression curve fit is selected regression is used to determine the coefficients which best fit the linear relationship Corrected Concentration KB Rel Basis KC where n R2 ER KC XC KBY XR concentration intercept n n with Cx the corrected concentration of component x Rx basis of component x concent of IS basis of IS n number of standards run The actual concentration of an unknown peak is then found as Actual Concentration Corrected concentration Basis of IS Dilution Concent of IS Weight Injection Volume For linear fits a correlation coefficient r can also be computed as a measure of goodness of fit r n EC B ZB ZC N B EBJ nEC Cx As with external standard calibrations the LO curve fit option can be used instead of the normal L fit to change the KC term to zero regardless of its computed value to force the curve through the origin With either L or LO curve fits the Calibration Plot will always draw the plotted theoretical response curve from the concentration intercept value through the maximum standard concentration basis value found in
196. e Autosampler button This will open the Autosampler setup dialog box where default values can be entered if desired The Enable checkbox must be checked for autosampler control to be enabled Autosampler Injection Volume 20 ull mr IX Enable Autosampler figure 15 3 Kontron Autosampler Setup Dialog IX Needle Wash While still in configuration and on the Sequence screen enable the columns in the Sequence Table that are desired for control of the autosampler Typically the Vial Number column Number of injections per vial and volume are enabled See section 5 for general configuration details Figure 15 4 shows a typical Sequence Table 246 Data Ally Chromatography Manager Operators Manual TB1 lt lt Configure gt gt Administrator File Sequence default seq X Name default seq Process Mode Position Reports Options Method Boal IX Start Enable Enable W s dun Ix x Print IX X Validate Reprocess IX C Summarize X End x I Show Ix Do Not Integrate fX Do Not Calibrate Sequence Sequence Table default seq zl In A In A In A In A Calib Lg No hn Vol Method Cg File Int File Cal File I Hist Tempji Utilities ro Reo oe NNNNCCONNNNNNN figure 15 4 Typical Sequence Table For Autosampler Operation 15 2 4 Kontron Autosampler Sequence Control Issues It is necessary to configure the Data Ally Control Setup for Kon
197. e Advanced Setup Menu and then locate the Reserve Resources or PnP PCI Setup menu When you have found the PnP Setup menu you may have to select Manual Setup in order to see the choices for reserving you ISA IRQs Once you have found the ISA Legacy IRQ menu proceed to select and reserve IRQs 10 and 11 Finally you will want to exit and Save your changes This usually is done by pressing F10 key but there will be instructions displayed on the screen as to how to do it Save and Exit the BIOS Setup and then proceed to the Windows 95 instructions shown below Checking on I O Port Address Conflicts Data Ally uses only 2 locations in the PC I O address space Those locations are 300hex amp 301hex These two locations are not normally used by other devices and are designated for the prototype card by IBM Some devices that may be using these address will show up in the Windows 95 System Resources list but any devices installed via MS DOS configuration or autoexec bat files are not likely to show up You may examine the autoexec bat and config sys files and look for device driver lines that reference I O port addresses 300hex and 301hex If you find any you will have to consult the manuals for those devices and relocate them to a non conflicting I O address G Lit Manuals Data Ally W95 DAIRQ DOC To examine the I O port usage in Windows 95 Go to the Control Panel click on Start Settings Control Panel and double click the System Icon
198. e Baseline and Define Zone Codes only the Analyze Calibrate and Integrate functions can be configured for specific requirements in the current time base See Section 7 3 below for a complete explanation of the use of these commands for analyzing and manipulating chromatogram data the following section deals only with configuration related changes to the Analyze Calibrate and Integrate dialogs 46 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt IE Math Display View Print Leu ooo Graph c pyramid alis60 pdf Analyze 3 Calibrate Define Baseline 2 Define Zone Codes gt JS Integrate Integ Calib Utilities 4 UrPTPEDTH OTEICTTTTETIOUTTYTOUUCTTETOTTUTTH HPLC1 AKTHREE 3 m fe EF EE ERS BE EE BE BEE BE BEE E EBE EBE Figure 5 17 Graph Edit Default Submenu Click Analyze in the Edit submenu to see the Analyze Default dialog Figure 5 18 This dialog is used to produce result reports manually from loaded and integrated chromatograms HPLC1 lt lt Configure gt gt File Edit Math Display View Print Graph c4pyramidyalis60 pdf Analyze Correction Factors internal Standard Amounts Dilution IS1 Sample EST ES Report Template Filename Print Show a E Figure 5 18 Analyze Default Dialog The Sample related information fields can be completed to set the defaults for sample name number and description
199. e Files submenu to print a summary of the current Integration program file The template for this printout is saved as reports int int xls and can be modified as desired using Microsoft Excel Section 13 175 Data Ally Chromatography Manager Operators Manual 10 0 Reviewing and Editing Calibrations Calibration Screen Data Ally Chromatography Manager provides many features for quantitating results to generate calibrations and reports for unknown samples Any chromatogram acquired or reprocessed in any available mode can be utilized for creating a new calibration or for updating an existing one 10 1 0 Calibration File Definition A Data Ally Calibration file is a set of data corresponding to peak components from a specified Integration file s Peak Table which represents the cumulative responses of the standards already analyzed for determining the concentration of each component in unknown materials Each time a new standard is injected and its chromatogram is captured the peak responses in that chromatogram can be applied to any Calibration file s associated with the Integration program s being executed Each Calibration file not only holds the actual peak response information but also contains other items which describe each calibration standard run as predefined in the Configuration for each channel When the Calibration function is configured the system manager selects which types of data are to be displayed in the Calibration table and
200. e Program Manager icon to see the Program Manager window Select the Data Ally icon from the Applications menu by double clicking on that icon The Data Ally software will load and you will see the Graph screen 6 4 0 Using the Default System When you have logged on and obtained entry into Data Ally you can immediately start collecting chromatograms or for writing programs 6 4 1 Starting a Run S To start collecting signal data from any analog detector s connected to the current time base click the left mouse button with the pointer on the RUN SoftButton while viewing any screen If you have not loaded a Method or Sequence file the default file s will be employed as set in configuration You may wish to click on the METHOD SoftButton to see the DURATION run time and RESOLUTION sampling rate settings for the current Method before beginning the run Click inside either of these fields in the Method to change the parameter s for the run to be started You may also wish to change the file name s assigned for automatic file saving or for automatic Integration by changing the current Method as desired before RUN is executed Since Data Ally always logs chromatogram file data directly to the hard disk as it runs a valid file name must be provided in the default Method file or assigned in any modified Methods before a run start can occur If the filename s currently found in the active detector input entry field s in the Method screen is a
201. e current time base The default file can be modified only by performing Configuration 11 5 2 Clearing Sequence Files A Clear function allows you to remove all entries from the Sequence Table without deleting the lines or deleting the entire file 215 Data Ally Chromatography Manager Operators Manual To clear the current Sequence Table click on File in the Command Menu bar and then click on Clear Click Clear Sequence Table to clear the entire table Figure 11 6 If the previous file has been edited and has not been saved or resaved an information message will appear before this file is cleared asking if the previous file should be saved If so click on YES and assign either the same filename or a new name as desired If you do not wish to save the edited file click on NO to proceed HPLC1 lt lt Ready gt gt Load Sequence Load Default default seq Sequence default seq read only Reports Sequence Description 3 P Ix Print Show Clear Sequence Clear Sequence Table Save Sequence As Print Sequence den Figure 11 6 Sequence Clear Function 11 5 3 Saving Sequence Files To save a Sequence file using the same name click on Files in the Command Menu bar and then click on Save A trap message box will appear prompting confirmation of whether the existing file with the current name should be overwritten click OK if you wish to resave the file The previous version will be ove
202. e either fixed or temoved in the Configuration These items can of course also be reset or restored but the channel must be disabled and a re Configuration performed to accomplish this The Files commands in the Integration Command Menu bar Figure 9 7 are used to load save clear and delete Integration program files HP e Load Integration Load Default default int Integration Description Clear Integration b Save Integration As Print Integration aen Figure 9 7 Integration Files Command Submenu 9 3 1 Loading Integration Files 2 To load a saved Integration file from disk memory into the current channel click the left mouse button on Files in the Command menu bar and then click on Load A directory dialog box will appear which lists the Integration files INT available in the current directory path for this channel Figure 9 8 Select the desired file by clicking on its name in the directory list or by typing its name into the entry box Click on OK to load the new file 173 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt n ad nnls s LOAD INTEGRATION FILE File Name Directories Jum c pyramid gt pyramid C3 anticon5 catechol Imws ergacids pdf C3 program pyrtemp test int List Files of Type Drives integration Files int c ms dos_5 Description Figure 9 8 Integration Files Load Dialog If the
203. e has its own unique Calibration Table and its own Calibration plot The Reference Peak table is utilized to select any particular peak in order to view the Calibration Table and Plot specific to that peak Both the Table and the Plot will immediately be updated for the newly selected peak This interactive display mode helps you easily review the current status of calibration of any peak and modify the calibration quickly if necessary It may be most convenient to maximize the Peak Reference Table when editing it by clicking on the Program Control Maximize button at the window s upper right especially if a large number of levels is being input You can use the table s vertical and horizontal scroll bars to move around in the table as well as the PageDown and PageUp keys to move up or down a fixed number of rows of peaks the CTRL Home or CTRL End commands to move to the first or last column on the current row in the table and the CTRL PgDn or CTRL PgUp commands to move to the beginning or end row peak in the table respectively The following series of steps must be performed in order to modify an existing or default Calibration Reference Peak Table in order to initialize a new one 179 Data Ally Chromatography Manager Operators Manual 10 2 1 1 Setting Up a New Reference Table gt To select the Integration screen which includes the Peak Table for reference for a new calibration file click on Files in the Calibration Screen Command Me
204. e signal values of any chromatograms in the selected register s at the current pointer position and Method parameters will correspond to the value of each item in the current Method at the current pointer location The Status Box can be very useful while editing chromatograms as a time signal counter or to track the exact position in a Method where a peak or event appears If an offset is applied to any trace graphically or by using the Offset command the signal value shown for that trace in Status will reflect the offset 131 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt File Edit Math Display View Print m Graph c pyramid pdf 987 571 pdf Status Box Graph m Elps Time Rmng Time Top 6042 BCD Vial No Method Integ Sequence Calib Millivolts Utilities HPLC1 Timebase HPLC1 Figure 7 40 Status Box Enabled in Graph Window gt To disable the status box at any time click on Status again and uncheck the Enable Status Box item then click on OK The Status Box will disappear until you re enable or re define it If the Status Box signal display is active during a HOLD condition or between runs in a Sequence the signal register s will show the current status of each live detector this can provide valuable information for assessing whether run conditions are suitable for starting the next injection or if the system has re equilibrated from a previous run
205. e time or to separate individual traces for easier viewing and analysis S To see the GRAPH screen for any channel switch to that channel click on its SoftButton and click the GRAPH SoftButton with the left mouse button or press the F2 key The full screen Graph window Figure 7 1 will appear HPLC1 lt lt Ready gt gt File Edit Math Display View Print Graph c pyramid pdf 987 571 pdf Help Graph Method Integ 19 955 18 Calib Millivotts 27 551 29 26 803 428 Utilities bem fps pera Em IER mem 1589 12 HPLC1 i 32841 32 188 Ap E 34388 33 bur d j 3025 31 HPLC1 Edit 2 4 105 fius 4 1889 48 TT T TT TT DE HHBIDEBE BDIDD DE BE BOO MOE BEB m TB i UVM o pyramid pd 87 57 1 pdf Bie TB Edit roa Jees mone a m 5 Figure 7 1 Graph Screen Fully active and functional Graph screens are displayed as part of Data Ally s Method Events Table Integration Peak Table and Sequence Table screens for convenience during graphical editing steps or while live runs are executing All Graph screens available in a given channel utilize the same configurable settings menus and options and are essentially identical However Graph screens from different channels may have unique features and options depending upon how each channel has been configured The main GRAPH screen window like all Graph windows has a Command Menu Bar along its top line
206. e to return to the top level Method screen Now resave the Method with the correct Integration file reference s by clicking on the Files Save command gt To create an appropriate Sequence program for batch processing click on the SEQUENCE SoftButton to see the Sequence screen To use this Sequence to acquire new chromatograms be sure the Acquire Mode button is selected at top left To automatically fill in a series of twenty lines for 20 samples click on the METH column cell on the top line of the table and type in the Method name you wish to use Then click the FILL button to see the AutoFill dialog click on the To End of Table and Increment radio buttons The Step Value field should have a 1 entry click inside it and change the value to 1 if it does not Click inside the No of Steps field and enter 20 Click on OK and a series of blank rows will automatically be added the ENABLE line number row at left will show line numbers between 1 and 20 Once the Method is specified for each sample line in the table sufficient information is available to run the Sequence You can make any further edits of the table as desired using the INSERT CUT COPY and PASTE commands to work within the spreadsheet You have now completed a basic Sequence table for your Method gt To start the Sequence click on the RUN SoftButton while viewing the Sequence screen with your autosampler loaded with the samples to be run Before starting you s
207. e used to back out of those changes S To undo a baseline code change made during manual editing click on the right mouse button to show the editing pop up menu Figure 7 15 and click the left button on Undo A number next to the Undo command shows how many baseline modifications are currently registered in memory which can be undone Each time you click Undo the most recent remaining change is undone and the reintegration resulting from the Undo step is shown You can continue to click on Undo until the numerical counter reads zero indicating that all the tracked baseline modifications have been undone To terminate Undo click on any other option in the editing pop up menu or click on End Drawing When you have completed all the desired editing functions you can move another chromatogram into the foreground editing register by dragging its filename icon into the desired top left position and then proceed to edit the new chromatogram without leaving editing mode Alternatively you can exit manual editing mode by clicking the right mouse button to show the editing submenu and click the left button on End Drawing When you leave a manual editing cycle the modified baseline codes you have placed will remain associated with that chromatogram and will be resaved with the chromatogram raw data automatically when that chromatogram is cleared or another is loaded into its register This guarantees that the new set of baseline marks will alway
208. e will be highlighted in the Plot window You can zoom the plot display for closer study if you like You can use this mechanism to review check and verify any standard chromatogram or replicate included in the Calibration file for any peak 10 3 3 Editing Individual Standard Points In addition to locating and studying individual points you can also test the effect of each point on the current Calibration curve fit To perform point by point editing you must have configured the ENABLE column to be present in the Calibration table in this channel The ENABLE column is identical to that found in the other Data Ally program tables Each cell in the column contains either a colored highlight indicating that cell s row is enabled or active in the current calibration or is blank indicating that cell s row is disabled or inactive in the calibration If this column is not present you will not be able to edit individual replicate points 2 To disable a single point and remove it from the current Calibration curve enter the Plot window and double click on the desired point The Table will immediately index to the line corresponding to that point Now double click on the ENABLE cell of the highlighted row in the Table the ENABLE 198 Data Ally Chromatography Manager Operators Manual highlight will be toggled off The point in the Plot window will change to a red x and a new calibration curve fit will appear superimposed over the old fit
209. eck their respective check boxes and then click OK Any or all of the items can be chosen for inclusion Once a series of items are checked they will be printed in a space above the chromatogram printout on each printed page If multiple page prints are made using the In Sections printing option all the selected information items will be printed on each page The Printout Info parameters will always be included in every chromatogram printout produced manually or automatically via a Method or Sequence To change the current set of Info parameters you must use the Printout Info dialog again Note that every page of every chromatogram printout will always be numbered at bottom right whether portrait or landscape orientation with a page number and the total number of pages e g Page 1 of 4 7 7 3 Specifying Report Types The Report command in the Print submenu allows any type of report for which a template XLS file exists to be produced using the foreground chromatogram data currently loaded To use this function simply click Report to see the Print Report dialog Figure 7 47 HPLC1 lt lt Ready gt gt File Edit Math Display View Print T Graph cApyramidlpdR987 571 pdf Report Template areapetxis Save As Filename sur s E E e Utilities EZS Figure 7 47 Print Report Dialog 136 Data Ally Chromatography Manager Operators Manual This dialog allows you to select a report t
210. ective sampling rate parameter for that input Up to four different signal inputs can be set in this area based on Configuration met read only Detectors Resolution x UV Vis 10 ptus eco fio pis Figure 8 2 Detectors Setup Fields S To enable detector inputs for a Method move the mouse pointer to the check boxes to the left of the available detector names and click if necessary to check the detectors to be active for this Method If a box is unchecked that detector signal will not be acquired nor displayed Note that unchecking to disable any detector in this box will cause that detector s Results fields below to be grayed out and inoperable these fields can only be set for active inputs S To set RESOLUTION sampling rate for each input click the left mouse button with the pointer inside the RESOLUTION field for any selected input Type in the desired setting in points per second If a number only is entered with no units code the system will assume you are using the same units shown for the previous entry If entering a time the time should represent the expected width at baseline for the narrowest peak to be found with your application and samples All RESOLUTION fields for all active detectors must have an entry before a Method can be started In general you can set the defaults for RESOLUTION for each channel to be appropriate for the type of procedure e g HPLC during Configuration so that y
211. ed on the left screen margin button bar can now be individually renamed and recolored and their order changed as desired With the mouse pointer on the desired SoftButton click the RIGHT mouse button to see the Button Edit Pop up make changes as for any other system buttons above You can also drag and drop the SoftButtons to change their relative positions along the height of the button bar In addition to changing the SoftButtons it is also possible to change the information in and format of the Last Changed field at the bottom of each screen type To do this place the pointer on the Last Changed button and click the RIGHT mouse button the Button Edit Pop up will appear 5 2 6 7 Completing Configuration If all Components specifications are correct and all the default program screens are set up as desired you are ready to finish Configuration of the current time base You may wish to use the Print Configuration commands for any or all of the program default screens found in their respective File submenus to print a hard copy record of each part of the overall default configuration If you wish to set up the configuration for the edit time base associated with the live time base you have just completed click on the Edit TB SoftButton for the edit time base and review all of its program screens making appropriate changes Note that the Method screen parameters and default values must be identical for each pair of live and edit time bas
212. ed either as part of called Methods in the Sequence or by the RPT TEMPL column entry Entries in this column will override any report save filename entries in any Method in the same row in the Sequence table Again this offers ultimate flexibility in determining specific report generation for each Sequence without having to review or modify any saved Methods you wish to use e CAL HIST TEMPL For each configured detector input Configurable This column permits row by row definition of the Calibration History reports to be prepared describing the current calibration for each configured detector input These entries will override any Method based entries for calibration reports The CAL HIST column identifies a path filename for the XLS Excel template file used to create each desired calibration report e WEIGHT Configurable This factor allows corrections for weighed samples as configured in the Method default set screen e DILUTION Configurable This factor allows corrections for sample dilutions as configured in the Method default screen e METH Configurable This field determines which Method program is loaded from disk when this Sequence Table is executed A different Method can be associated with each line in the Table in any order or combination Note that the Method references Integration and Calibration files in the normal manner If the METH column is disabled in Configuration the system will always load the default Met
213. ed in any Method files in the Sequence on a row specific basis e CAL LEVEL Configurable This field selects the calibration level for the standard defined in the current line row The range of level entries depends upon the number of levels programmed for the currently referenced Integration file s Entries in this field will override any calibration instructions contained in any Method files in the Sequence on a row specific basis e 1 AMT IS5 AMT Configurable These five fields set concentration values for the Internal Standard peaks number 1 through 5 if such peaks have been defined in the Integration Peak Table These columns are only configured for as many Internal Standards as are to be used e PRT CG Configurable This column defines whether or not the chromatogram generated during processing of each row in the Sequence Table will be printed according to its respective Method instructions Entries in this column are either Y for Yes or N for No Any entry in this column if configured will override any printing instructions contained in any Method specified for any sample row e COMMENT Configurable The COMMENT field for each line row can be used to make notes on a line by line basis which will be saved with the Sequence Table Comments can be up to 30 characters depending upon the column width setting in Configuration Note that many of the Sequence Table column parameters can be defined either here or in the Method scree
214. ed values in all blank rows based on an existing entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Increment Current Cell 171 Data Ally Chromatography Manager Operators Manual and End of Table and enter the increment value in the Increment field leave other fields and options blank off S To fill a range of rows with evenly spaced automatically computed values with each row s value corresponding to the difference between the basis cell s value and the value of the next row having a non blank entry in the column divided by the number of intervening rows place the edit highlight on the basis cell first row in the range click FILL to see the AutoFill dialog select Increment Current Cell and To Next Entry If you wish to fill only the existing number of blank intervening rows leave the No of Steps field and all other commands blank off If you wish to fill either only some of the intervening rows or to add new intervening rows enter a number in the No of Steps field specifying the total number of intervening rows to be filled If No of Steps exceeds the number of existing blank lines in the range you must check the Allow Insertions box to automatically add and fill sufficient lines to match the No of Steps entry To fill all existing ranges of empty rows in the column with evenly spaced automatically computed values with each filled row s value correspo
215. ed with the Data Ally system for the current time base INJS Configurable This field sets the variable number of injections from 1 to 9 for the current row sample in the Sequence table SMP NAME Configurable This field defines the sample name to be run on any line row in the Table The sample name can have up to 30 characters depending upon the column width for SAMPLE NAME set in Configuration SMP DESC Configurable This field can be used to enter a sample description of up to 30 characters in length CG FILENAME For each configured detector input Configurable This field defines the chromatogram raw data path filename to be created saved for the incoming data from the first detector configured Although the name can be specified in the Method file this row entry permits a different filename to be used on a row by row basis if desired from the name specified in the selected Method file any entry in the CG FILENAME fields will override the filename entry for this detector signal input in the corresponding Method file sample number for the line row with up to 30 characters depending upon the column width value set in Configuration Note that if more than one detector input is available in this time base each detector can have its own chromatogram filename set independently of each other and of the Method file specifications The ability to enter unique chromatogram filenames for each row also allows the creation of reproce
216. edge of the column button left or right to change its size release the left button when the desired size is achieved Large Left Right Up or Down Arrow The pointer is in the furthermost top bottom left or right edge of a Graph window and can be used to pan the graph display in the direction of the arrow by clicking the left mouse button while the large arrow is displayed Double Headed Vertical Arrow The pointer is in a window border area and you can change the upper or lower horizontal border position of that window by clicking the left mouse button and dragging the existing border up or down Double Headed Horizontal Arrow The pointer is in a window border area and you can change the left or right vertical border position of that window by clicking the left mouse button and dragging the existing border left or right Double Headed Diagonal Arrow The pointer is in a window corner border area and you can change both its vertical and horizontal dimensions by clicking the left mouse button and dragging both borders to the new position Four Headed Arrow Heavy You have selected the Move or Size command from the Application or Program Control Menu button You can drag the entire window to a new position or move any borders of that window to resize it el lt 0 30 Two Headed Horizontal Arrow Light The graphical editing function for timed events or peak windows is enabled You can move the position of the
217. eeneene eene nennen trennen rene enne TI Figure 5 61 Assign Default Calibration File Dialog eeeeeeeeeeeeeeeeen nennen nennen eene enne TI Figure 5 62 Calibration Tables Configuration Window eese rennen tenes 78 Figure 5 63 Calibration Default File Submenu essessseeeeeeeneee eene nennen nennen ener enne en 78 Figure 5 64 Calibration Default Setup Dialog eese nennen rennen enne 79 Figure 5 65 Configure Calibration Reference Table Columns Dialog eee 80 Figure 5 66 Column Selector Dialog for Calibration Data Table essere 81 Figure 5 67 Configuration Sequence Window sssesseesseeeeeseeeeeeeeneene nennen trennen rene etre enne en 82 Figure 5 68 Sequence File Default Submenu eene neen rene etre enne 83 Figure 5 69 Sequence Default File Description Dialog sese nennen 84 Figure 5 70 Assigning Sequence Default File nennen nennen nennen enne enne ene 84 Figure 5 71 Configure Sequence Table Columns Dialog eese enne 85 Figure 5 72 Utilities Files Configuration Submenu sessi 87 Figure 5 73 Save As Configuration Dialog S snerpende eske seeninge eien e ee enne nennen tren nein reete enne enne en 87 Figure 5 74 Load Configuration Dialog esee eene nennen eren rennen ennt 88 Figure 5 75 Exiting Configuration Dialog sessessesseseeeeeeeen eee n
218. emplate by name using the entry box with right selector arrow click on the down arrow button to see a listing of all available types in the reports subdirectory highlight the one to be used and click the left mouse button If you wish to save the new report as an Excel report file enter a name in the Save As Filename entry box Check either the Print or Show check box to print out or display the report on screen When done click OK to produce the report desired in Excel or Cancel to abort 7 8 0 Running From the Graph Screen Runs can be initiated from the Graph screen or from any other screen in Data Ally by double clicking on the RUN button on the bottom of the left switchbar at any time Function key F12 on the PC keyboard can also be used to issue the RUN command When RUN is clicked the button changes to STOP which can then be used to terminate the current run at any time If a manual run is in progress the STOP button will include the word RUN indicating that a single manual run and not a Sequence is being performed You must double click on both RUN and STOP to execute those commands When a run is executing the top bar which contains the name of the current channel will include a notation that the channel is running along with a three dot live indicator which visually prompts that a run is being processed You can use any of the left switchbar buttons to view the contents of any screen in the current channel or to switch t
219. employed This test is only performed if the Tangent option is enabled in Configuration if it is not the integration finishes at the end of step 4 above A test tangent line from the point at which each skim begins to baseline is drawn for each skim line and its slope is computed The slope of the current skim line is also computed and the ratio of the Skim Tangent slopes is found If this ratio is less than the Skim Ratio value the skim line is used If the ratio exceeds the Skim Ratio value a tangent is substituted for the existing skim and the integrator repeats the process for the next skimmed peak When this phase is completed all shoulder peaks have been classified into either skimmed or tangentially separated peaks and all final baselines drawn After completing step 4 or step 5 if Tangent drawing is enabled the integrator displays all retention time values computed for all peaks draws all tic marks and peak labels and draws peak names and numbers if available from the peak table If relative retention times are specified in the Integration screen see below the integrator finds the appropriate reference peaks or points before computing and displaying retention times It is important to remember that when running Methods different chromatograms associated with various detector inputs can be assigned different Integration files which can include algorithm parameter settings most suitable for each unique input If only one Integ
220. en When you click on the Maximize button it is replaced by the Restore button double up down arrow which returns the window to its previous size e Minimize Button The Minimize button downward arrow at the top right of each time base window causes the time base to be iconized without affecting its current function Minimize does not operate in program windows e Restore Button The Restore button double up down arrow which replaces the Maximize button in the top right corner of time base or program windows returns the window to its previous size e Mouse Pointer In program windows the arrow pointer or cursor is used to select commands and manipulate graphic images on screen The appearance of the pointer may change 25 Data Ally Chromatography Manager Operators Manual depending on where it is placed on screen see section below on Mouse Pointers and Techniques e nsertion Point In certain program windows only Method Integration Calibration Sequence this blinking vertical bar indicates where the next character typed will be entered The insertion point can be moved at will with the mouse pointer before making any entries e Scroll Bars In program windows and subwindows such as Tables a set of horizontal and vertical scroll bars can be used to change the current view of the contents of the screen area bordered by the scroll bars To use scroll bars you can either click the left mouse button while pointing at the ar
221. en 199 Figure 10 12 Calibration Files Load Dialog eene enne entente trennen trennen enne 201 Figure 10 13 Clear Submenu for Calibration Files eese nennen 201 Figure 10 14 Calibration Files SaveAs Dialog eese enne nre nren nene 202 Data Ally Chromatography Manager User s Manual Figure 10 15 Set Calibration Description Dialog essent rennen enne 202 Figure 11 1 Sequence Screen onset ederet eee tete rt eet tette e ee 204 Figure 11 2 Auto Filling the METH Column eese nnne nennen een rennen treten tenerent 211 Figure 11 3 Split Screen Sequence Table with Graph sessesseseeeeeeneeneeee nennen nennen 214 Figure 11 4 Sequence Files Menu eite ettet Hn rr erede hie ueber eiie ee po Ene euren 215 Figure 11 5 Sequence Files Load Dialog esee eene ener tene trennen nre 215 Figure 11 6 Sequence Clear Function 2 ttt reete re het e ripae ter tee hee Rei E EEE EEE 216 Figure 11 7 Sequence Files Save As Dialog esee eene enne tenete trennen 216 Figure 12 1 UTILITIES Screen etit etr ite LI eite CREE DR He I esteso eiectus 218 Figure 12 2 Utilities Files Submenu essent nennen eene enne nette tenete trennen 218 Figure 12 3 Load Configuration Dialog tette tenen ttn hber knee DH OSEE Era pe fedt 219 Figure 12 4 Translate Submenu Commands eese nennen enne nennen
222. en press the underlined letter for the menu item you wish to select S To cancel a menu without using any command click the left mouse button anywhere on screen outside the menu or press the lt ESC gt key 4 1 1 Dialog Boxes Data Ally utilizes a large number of different dialog boxes to help you choose how commands will be carried out Each dialog box is a special type of window which appears in a predetermined position on screen and remains displayed as long as you are working with it An example of a dialog box is the Files Load dialog from the Data Ally Graph Screen Figure 4 3 HPLC1 lt lt Ready gt gt it Math Display View Print _Granh LOAD CHROMATOGRAM FILE File Name Directories arr c pyramid ais60 pa Son f pyramid C3 anticon5 Bead Only mws 3 orgacids r Select Detector C3 pdf UV Vis 3 program ECD C3 pyrtemp List Files of Type Drives Chromatogram Data File 2 c ms dos_5 Description C Top Figure 4 3 Files Load Dialog Box for Graph Screen Dialog boxes can contain several types of objects 22 Data Ally Chromatography Manager Operators Manual List Boxes List Boxes are areas which show a directory list of alternative choices for some entry a list box for files appears in the upper left corner of Figure 4 3 List Boxes usually include a vertical scroll bar which allows you to move quickly upward or downward through the listing
223. ename or a new name as desired If you do not wish to save the edited file click on NO to proceed HPLC1 lt lt Ready gt gt Load Integration Integration default int read only Load Default default int Integration Description Clear Integration Clear Peak Table Save Integration As Print Integration Taent Figure 9 9 Clearing Peak Table 174 Data Ally Chromatography Manager Operators Manual 9 3 3 Saving Integration Files gt To save an Integration file using the same filename click on Files in the Command Menu bar and then click on Save A trap message box will appear prompting you to confirm that you wish to overwrite the old file with the same filename Click on Yes and the previous version of the file will be overwritten and a new version recorded in the same path 2 To save a modified Integration file with a different filename click on Files and on the Save As command in the pulldown The Save As dialog box will appear Figure 9 10 Click inside the filename entry field and type in the desired new filename If you wish click inside the DESCRIPTION field and modify any existing description of the file which may help identify this file in the directory listing for future recall When the correct name and description appear click on OK to save the file to the current disk path If another file already exists in that path with the same name an error message will instruct you to change t
224. ename over a series or group of runs For these tables The last two types of tables can only be placed into summary reports executed as part of Sequences Only one table can be placed into any single report 14 3 4 1 Defining The Table Position The position of each table in any report is defined by the range of the first data row being named Table Origin Any table will be printed only if a cell with this name appears on the worksheet In an existing report template select Table Origin in the name box See section 14 2 4 to see the present location of the table origin cell if any In order to define a new table position use the Define Name Dialog Box to define Table Origin See section 14 2 4 1 as a rectangular region You can click inside the location box in the Define Names dialog and edit the current cell reference or delete it and then use the cross pointer to select the new desired cell for the table origin Alternatively the named cell can be moved to a different location by using the Cut Paste function 14 3 4 2 Tables With Folded Rows Or Tuples For most Data Ally Templates all the printed data for a data row called a tuple fits on one printed row on the report The first tuple in this case is simply the first printed row of the table and Table Origin is a range one 234 Data Ally Chromatography Manager Operators Manual row high When all the data for one tuple will not fit on one row the data may be folded onto sev
225. ening rows or to add new intervening rows enter a number in the No of Steps field specifying the total number of intervening rows to be filled If No of Steps exceeds the number of existing blank lines in the range you must check the Allow Insertions box to automatically add and fill sufficient lines to match the No of Steps entry S To fill all existing ranges of empty rows in the column with evenly spaced automatically computed values with each filled row s value corresponding to the difference between the value of the cell immediately preceding that range and the value of the next row having a non blank entry following the range divided by the number of intervening rows click FILL to see the AutoFill dialog select Increment Start of Table and End of Table Leave all other selections blank off S To overwrite existing values along with any blank rows with incremented values in an entire column place the edit highlight on the basis row for incrementing click FILL to see the AutoFill dialog select Increment Current Cell and End of Table enter the increment value in the 186 Data Ally Chromatography Manager Operators Manual Increment field and check the Allow Overwrites command with all other fields and options blank off S To overwrite existing values in a portion of a column with incremented values place the edit highlight on the basis row for copying click FILL to see the AutoFill dialog se
226. enne enne nnne 55 Figure 5 32 Zoom Center Default Submenu ette teet e eer re ree ERI E tiere eR ESET etos 56 Figure 5 33 Zoom Scale Factors Default Dialog eesesseeeeeseeeeeeeeeeee nennen eene rennen 56 Figure 5 34 Print Command Default Submenu essen eerte nren eene rennen enne 57 Figure 5 35 Printer Setup Default Dialog sees nennen nennen rene enne enne enne 57 Figure 5 36 Printout Info Default Dialog seeeeseseeeeeeeeeeeeenneennn nennen nennen eene enne enne 58 Figure 5 37 Chromatogram Report Default Dialog eese eene eene 58 Figure 5 38 Graph Screen Button Configuration Pop up Submenu sese 59 Figure 5 39 Set Button Color Dialog sessi neen nene en rennen ener 60 Figure 5 40 Set Button Title Dialog nne open DT preter RERO Drei 60 Figure 5 41 Method Configuration Dialog sees nennen nren retener eene nnne 61 Figure 5 41 Method Configuration Dialog eese eee nnen teen nren rene enne enne nnne 62 Figure 5 43 Method Reports Default Dialog eeeeeeeeeeeeeeeeeenne nennen nennen eene en eene nnne 65 Figure 5 44 Method Files Configuration Submenu eese eene en rennen trennen 66 Data Ally Chromatography Manager User s Manual Figure 5 45 Default Method Description Dialog eessssesseseeeeeeeerenneenee eene nennen n
227. ennen 116 Figure 7 20 Zone Codes Placed Along Graph Time Axis eseeeeeeeeeeeeeeeeeee nennen nennen 116 Figure 7 21 Manual Analyze Dialog ete Uti egit d tei rien pie sre mee Odes 118 Figure 7 22 Example of Typical Area PerCent Report via Excel eese 119 Figure 7 23 Manual Calibration Dialog eese enne neen trennen eren en rennes 119 Figure 7 24 Example of Calibration Report esses enne nennen nennen nennen 120 Figure 7 25 Cut Image Command eee e e ee t e are ere ie i ei dus 121 Figure 7 26 Math Functions Menu seseeseeeeeseeeeeeeeeee nennen nennen eisereen EKE erene aE tren trennen 122 Figure 7 27 View Submenu Commands essere ene trennen trennen rennen 123 Figure 7 28 Zoom Box Enabled in Graph Window essere 124 Data Ally Chromatography Manager User s Manual Figure 7 29 Zoom Center Commands sese nennen rennen tette tenerent entrent 124 Figure 7 30 Zoom Center Scale Factors Dialog essere nene nennen trennen nenne 125 Figure 7 31 Graph Display Submenu Commands eese ener nennen nennen 125 Figure 7 32 Graph Display Attributes Dialog eese enne nennen nennen 126 Figure 7 33 Display Colors Dialog eeeeeseeeeeeeeeeeeeeeee nennen enne nennen rennen netten tentent trennen een 127 Figure 7 34 Display Offset Dialog seisi irea E E A rE A
228. ennen enne 66 Figure 5 46 Assign Default Method Dialog esee eene en rennen eerte trennen trennen 67 Figure 5 47 Method Events Table Configuration Window neret nenne 68 Figure 3 48 Table Button Edit Pop p eerte etr een P e e p RH e 68 Figure 5 49 Configure Events Table Columns Dialog eese enne 69 Figure 5 50 Events Table With Inputs Column eese nennen nnne nenne ener enr enne ennn en 69 Figure 5 51 Set Button Title Dialog itn eripere tree e rie p DR et hei pep repens 70 Figure 5 52 Button Title Color Select Dialog innreise a nennen nennen etre 71 Figure 5 53 Integration Configuration Default Window sess nre eene nennen 72 Figure 5 54 Integration Default File Submenu eese nennen rennen enne 73 Figure 5 55 Integration Default Description Dialog seeeeeseeeeeeeeeee nennen eene en rennen tenes 73 Figure 5 56 Integration Default Assignment Dialog eeeeeeeeeeeeeeeeeeeen nennen nennen rennen 74 Figure 5 57 Configuration Peak Table Window ssseeeeeeeeeeeeeeeeee nennen nennen rene rennen enne 74 Figure 5 58 Configure Peak Table Columns Dialog eeeeeeeeeeeeeeeeee nennen rennen enne 75 Figure 5 59 Configuration Calibration Window sessesseseeseeeeeeeeenneene nne nennen trennen rennen ene 76 Figure 5 60 Calibration Default File Submenu sesesseeeeee
229. ennen trennen ener enne 88 Figure 7 1 Graph Screen pter pter rp Re RP PD Ser RR en tore Pret e bep edens 100 Figure 7 2 Graph Application Control Menu ssesseseseeeeere neret enne nennen trennen nennen 101 Figure 7 7 Graph Files Submenu sees tnne tenente teen tren trennen nennen 105 Figure 7 8 Files Clear Dialog 2 51 leon epe eee aes Re pO Ibin ee ee ees 106 Figure 7 9 Files Load Dialog dne ineo mne eremo ei sgehabdsaetasotedseusscodvansdesdeckseevees 107 Figure 7 10 PEiles Save AS Dialog oe e e et te ee er e i ed dos 108 Figure 7 11 File Overwrite Trap Dialog eessssssesseseeeeeeenereneeneenne enne tenete trennen trennen 108 Figure 7 12 Graph Edit Command Submenu sese nennen nennen 109 Fieur 7 13 Integration Dialog eoo pe RH eto ient m ties oce oar teenie esis 110 Figure 7 14 Baseline Editing Submenu Commands essen nennen nennen rennes 111 Figure 7 15 Baseline Edit Pop up Selector sessssssssseeeeeeeeneneeeeee nennen nennen trennen eren 112 Figure 7 16 Placing a Drop Line With Pointer sess neret eene ene trennen trennen nennen 113 Figure 7 17 Erase Baseline Code Commands esee nennen nennen eren 114 Figure 7 18 Define Zone Codes Submenu essent enne enne nennen trennen nennen 115 Figure 7 19 Zone Codes Editor Pop up sessi neeneennenene trennen trennen n
230. entry is found in the column Next Entry If the No of Steps value requires that new lines be added before the end of the table or the next entry respectively new lines will be inserted if the Allow Insertions option is checked The Increment function can also be used in a force mode to automatically compute and fill row values with evenly spaced increments between two consecutive row entries or between all sets of consecutive row entries in the entire table For forcing no Step Value is given this causes the system to find the next consecutive column row entry from the starting point compute the difference between the highlighted start and next entries divide this difference by the number of empty lines between the two entries and fill numbers into all intervening rows in even increments Note that in most cases the highlighted row must be on the basis value to define filling before the AutoFill dialog box is used If a blank cell is highlighted at the time of fill selection a blank value empty will be filled into the defined range in Duplicate mode and Increment mode cannot be used Table columns which have numerical entries e g TIME FLOW will have the Increment function available in their AutoFill dialogs Columns with non numerical entries e g FOUT FIN COMMENT will have only the Duplicate mode available Because many instrument control columns include 149 Data Ally Chromatography Manager Operators
231. ents for this table by highlighting those entries and un highlighting unwanted items Note that any columns placed in the Sequence table can contain run instructions which will override the same parameters specified in Method files called by the sequence You should include all parameters as sequence table columns you will need if you are routinely setting up batches of runs and entering sample specific data random combinations of methods integration files and calibration instructions or sample correction factors such as IS amounts dilutions or injection volumes As with all Data Ally tables it is advised that only those columns which will be useful for your anticipated applications be included in the table configuration The following column parameters are available for the Sequence Table Injs Number of Injections No Vial Number Method Method Filename Det A Cg File Chromatogram Filename from Detector A input Det A Int File Integration Filename for Detector A input Det A Cal File Calibration Filename for Detector A input Det A Rpt Templ Sample Report Template File for Detector A input Det A Cal Hist Templ Calibration History Report Template for Detector A input Cal Level Calibration Level Cal Code Calibration Code IS1 Internal Standard Amount Det A Rpt File Sample Report Filename for Detector A input PrtCg Print Chromatogram Command Dil Dilution Smp Name Sample Name
232. eparate line labeled with that time value If more than one type of event or setting is associated with a single time value several columns may have entries in the single row corresponding to that time As a spreadsheet the Events Table acts like and can be edited like other types of spreadsheets found in other software applications A series of buttons along the bottom edge of the table assists in performing spreadsheet operations such as inserting copying cutting and pasting lines or ranges An extensive set of Fill functions can be used to automatically enter lines and or values into the table and the interactive graphical editing tools permit fast and simple changes to any table parameter s Whenever the Events Table is displayed one cell is always highlighted corresponding to the current editing cell into which entries can be made The edit cell can be moved anywhere in the table by moving the cursor pointer to the desired cell and clicking the right mouse button Alternatively the ENTER or TAB key can be used to move the edit cell highlight across each line in the table column by column from left to right Pressing ENTER at the end of the last existing row in the table will cause a new blank row to be added Each row or horizontal line in the Table automatically receives a line number which appears in the column at far left This column can be used not only as a guide when writing or editing Method programs but also
233. eporting functions when actually running the default method When all reports are shown as desired click OK to return to the Configuration Method Window or click CANCEL to avoid making any changes To enter a description for the default method file click on Files in the top command bar menu to see the Method Files Configuration submenu Figure 5 44 65 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File Assign Method Method default met Method Description Detectors lame default met Resolution Clear Method gt Ix UV Vis fio pus P mm xr fo ws Print Method Integ Results Filename IX Integration X Calibration Lev Type ws ot Regel femen i Eco sn Repons E BID T Figure 5 44 Method Files Configuration Submenu Click on Method Description in the submenu to see the Default Method Description dialog Figure 5 45 HPLC1 lt lt Configure gt gt File m Help Graph Method Set Description integ Press Ctrl Enter to start a new line Results Sequence Filename IX Integration X Calibratio UV Vis uvi test cal EM ECD eer IB HT Figure 5 45 Default Method Description Dialog Type in a text description of any length for the default Method file you can begin new lines by pressing CTRL and ENTER simultaneously This description will be available in the Data Ally Me
234. equence and Configuration files are backed up on floppy disks tape optical media or on the hard drive of another PC Although re installation of the same or a newer version will not overwrite any raw data program or report files it is always good practice to maintain separate copies of such files gt To re install a new version of Data Ally Follow the instructions for a first time installation The new software version will be installed into the CAData Ally or other designated directory on the hard disk in the same manner as the original installation When the installation is complete you must exit and restart Windows as advised by the completion message screen in order to load the new Data Ally version In some cases you may be able to use existing configuration and or program files documentation provided with the upgrade software package or in the Setup program message screens will advise you as to the limitations for each type of upgrade 20 Data Ally Chromatography Manager Operators Manual 4 0 The Data Ally Desktop Basics As a Microsoft Windows application Data Ally Chromatography Manager employs many of the basic Windows functions concepts and commands found in other Windows software programs Moreover Data Ally conforms completely to all Windows rules so that it can operate properly in the Windows environment alongside other running applications This section reviews basics how to use Data Ally menus and commands
235. er cursor to the desired cell in that column and double click the left mouse button to toggle the highlight on or off 167 168 Data Ally Chromatography Manager Operators Manual RT Not Configurable This column shows the absolute retention time for the peak component identified in each row A value for RT is essential for every row which defines a peak RT is always entered in time units min or sec 2 To manually edit RT move the pointer cursor to the desired RT cell click to highlight and type in the desired value along with a units code if desired If no units code is entered it will be assumed you are entering the value in the units used for the previous entry The range for RT is 100 to 10 000 minutes Retention times can be filled automatically from the current foreground chromatogram by using the FILL function see below PEAK NAME Configurable This column shows the name assigned to the peak defined in the current row Names of up to 30 characters can be given if the column width is set sufficiently large in Configuration gt To manually edit PEAK NAME move the pointer cursor to the desired cell click to highlight it and type in the desired name WINDOW Non Configurable This column defines the retention window for the peak in the current row as a range of time on either side of the RT value Windows must be defined for every peak in every row and must have a value greater than zero If the top level Integration
236. eral rows and Table Origin may be many rows high That is the case for the Summary and System Suitability reports In that case the bottom row of Table Origin usually does not contain any data and is reduced in height to form a tuple separator This allows the tuples to be visibly separate on the report instead of blending in with all of the rest of the rows Tables with tuples of more than one row have a restriction that all rows in a given column must be similar That is a column defined in Table Origin may contain only DDE fields or text labels but not both 14 3 4 3 Defining Table Contents Fields Once the position of the table is set by Table Origin the actual contents of the table must be defined To do this individual fields containing the information reference formulas must be entered into their positions in the first tuple of the table Type the name of each table field representing the items to be included in the table in a set of consecutive columns within Table Origin in the same format as for the DDE fields described above The table can include as many field entries as desired To make all the table data fit on one row if the column widths and number of field columns exceed the total width available on a single page you can either select a page width appropriate for printing the table on more than one page or change column widths used to decrease the total table width or change from portrait to landscape orientation for printing the
237. erence Table or must be entered by the operator in the Graph Edit Calibrate dialog Method Sample Info dialog or Sequence table as appropriate The Calibration Reference Table window includes a column identifying which peaks represent internal standards for convenience when assigning and reviewing such standards If Dilution or Weight correction factors are entered for any standard sample they will be automatically accounted for in the calibration computations and listed in the Calibration Table if suitable columns have been configured It is recommended that if such correction factors are frequently used appropriate columns should be included in the Calibration Table to assist operators in recognizing the effects of these factors upon calibrations To perform a manual calibration and add a standard response for each peak to the current Calibration file s Point Table load the standard chromatogram desired into the Graph window and be sure the correct matching Integration file is loaded in the current time base Check to verify that the standard chromatogram has already been integrated and all its peaks are identified properly if this is not the case use the Graph Edit Integrate command to integrate again Then select Edit Calibrate Figure 10 9 and complete the required entries for correction factors such as Dilution Weight or Sample Volume if configured Internal Standard Amounts Concentrations Level No and Mode New Average Replace
238. es however all other Screens can be varied markedly by means of configuration Once you have reviewed the edit time base configuration proceed to any other live or edit time bases available by clicking their respective left column SoftButtons and then clicking the Util SoftButton to begin setup of each new time base as described above ALL TIME BASES PRESENT MUST BE COMPLETELY CONFIGURED BEFORE EXITING AND SAVING THE CONFIGURATION FILE Only one Configuration File sets the characteristics of the entire Data Ally software regardless of the number of time bases present To finish configuration click the UTIL SoftButton in any time base window to view the Utilities Configuration screen Click Files in its Command Menu bar to see the submenu Figure 5 72 86 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt Component Load Configuration Configuration pyramid cfg Configuration Description Save Configuration Save Configuration As Print Configuration Exit Configuration Utilities HPLC1 Timebase Figure 5 72 Utilities Files Configuration Submenu To save the new configuration as part of the current configuration file the name of which is shown on the top bar click Save Configuration To save the new configuration as a new and unique configuration file click Save Configuration As to view the Save Configuration dialog Figure 5 73 File To Save c
239. es select the disk path and directory using the selector dialog in the center box for the 700 series files desired All the names of the relevant data files in the selected path will appear in the box at left Now click to highlight each of the desired filenames in the box for conversion their respective converted pdf filenames will appear in the box at right after each file is chosen When all files are selected and highlighted click the Convert All Files button at bottom to perform all the conversions as a batch When all conversions are completed click the Quit button to quit the conversion function 2 To export Data Ally pdf data files click the Export Data Ally To command in the Translate submenu The Export dialog will appear Figure 12 6 220 Data Ally Chromatography Manager Operators Manual HPLCI lt lt Ready gt gt Configure Quit
240. es will now have a single line corresponding to the chromatogram you have just processed manually You can move the highlight in the Reference Table at upper right up and down to select any desired peak and see that individual peak s calibration table and corresponding Calibration Plot S To perform an automated calibration using a Method you must first set up the Method screen to run and process a standard Click the Method SoftButton to see the Method screen and click inside the filename entry field corresponding to the first active detector input you will use Enter a valid filename for the standard chromatogram file to be saved from this input Now click inside the Integration filename field to the right of the chromatogram filename field and enter the name of the Integration file which contains the peak table corresponding to your chromatogram Click on the CAL 96 Data Ally Chromatography Manager Operators Manual selector arrow and select the N ew option to specify a new calibration table Click inside the Calibration filename field to the right of the CAL field and enter the name of the new Calibration file to which the new data will be added Finally click on the LEV selector arrow at far right and choose which standard level will be represented by this chromatogram If more than one input is to be used you could repeat the same entry process for the fields corresponding to the second input to specify both Integration and Calibration
241. eseeeseeeeeeeecesecesecesecsecsaecsaessaecaaeeseseaeseaeeseeeaeenes 29 Figure 5 1 Selecting Configuration Mode From Utilities Screen essere 36 Figure 5 2 Configuration Window sess eene E E EEES eS tene teee trente entren nein enne ens 36 Figure 5 3 Component Set Dialog BOX sisieun e ar s enne ne trennen trennen enne ens 37 Figure 5 4 Time Base Window System Setup Dialog eese 37 Figure 5 5 Entering Time Base Description iisen te a ie e n enne neen trennen nren eren ene ens 38 Figure 5 6 Analog Input Setup Dialog Box nee tene nene tren trennen eren enne ene 38 Figure 5 7 Entering a Description For Detector Input nennen nennen eene ens 39 Figure 5 8 Add Component Dialog Box seeeeseeseeeeeeeeeeeeeree trennen enr en eene etre enne enne aIo nter trennen 40 Figure 5 9 Component Setup Dialog After Adding Second Analog Detector Input sess 40 Figure 5 10 Adding Relay Flags eene nene enne enne enne tenete ne E tren trennen nein enne ene 41 Figure 5 11 Input Flags Setup Dialog eese nennen rennen rene enne enne tee tene tenn nnne 42 Figure 5 12 Removing a Defined Component esses eee tne tenerent 43 Figure 5 15 Selecting Desired Detector Type ceo eet ee eet eee secte petet E cs 43 Figure 5 14 ESA 5200 Detector Configuration Setup Dialog esee rene 44 Figure 5 15 Configuration Graph Window
242. esseseeseeeeereneennnene enne nennen trennen nr en rennen ens 105 7 2 Files Commands yes oen Rap D DI PRO 105 PXO Editing Graph Pies teo ere Sort ten Deut S Seaton tette o ten 108 7 3 Editing Commands etae eate teet ette npe ante este tei de tebe oth hates 108 7 3 2 Integrating Chromatograms Manually sese nennen ens 109 7 3 3 Manual Chromatogram Baseline Editing eeeseeseeseeeeeeeeee nennen eene 111 7 3 4 Manual Zone Code Editing on en A ped eR Rer e eri err edes 114 7 3 5 Manual Chromatogram Analysis eese enne teen nennen rennen enne 117 1 3 0 Manual Calibration 5 2 ete aeo mde a tees edet ees 119 7 3 7 Manual System Suitability Calculations nennen nennen etre ene 121 7 3 8 Cutting the Current Display Im ge 5 eee eto ec D ertt eer reperies 121 1 4 0 Math Functions 4i detti eee ee le aa Wea t e AN dets 122 7 4 1 Adding Subtracting Ratioing Chromatograms eee nee 122 7 5 0 Vaew Commands oos e bete De epp RO POI oberen 123 3 5 View Commands s escono ente ep ete e et ee e epe iecur eei 123 7 6 0 Changing Graph Display Characteristics nennen nennen eren enne 125 6 1 Display Attributes cene pere ec eeu eet eer le 125 7 6 2 Screen Display Characteristics Settings sess nnnm nennen rennen 127 1 6 3 Status BOX 5 ie ponen eR Gat bea CD OF tiae Cte 131 7 6 4 Monitor Time Bases Function essere nene enne ne
243. essing operations are programmed in the Sequence screen which is viewed by clicking on the SEQUENCE SoftButton on the left screen The Sequence screen is useful if more than one sample or chromatogram is to be run automatically or an autosampler is being controlled by Data Ally If only single injections are required the entire process of acquiring saving analyzing calibrating and reporting chromatograms can be automated via the Method program screen alone Effectively the Sequence function allows you to run a series of Method programs as a single operation It is possible to configure each Data Ally channel so that the Sequence function is not accessible to users if it will not be needed in that channel 11 1 0 Sequence Screen Functions Click on the SEQUENCE SoftButton to display the Sequence program screen This screen consists of two sections a top level dialog box in the upper screen which includes settings and parameters affecting the entire Sequence Autosampler Dialog access via the Autosampler button and the Sequence Table in the lower screen which is a spreadsheet containing a list of samples and Methods to be processed The Table portion of the screen operates in a very similar fashion to that of the Method Events and Integration Peak Tables The default Sequence file selected in configuration will be automatically loaded into the Sequence screen display whenever each channel is initialized or when a different Sequence is
244. et EC dc Command ShortTitle 1 to 4 lview met events table det EC dc guard Command ShortTitle lview met events table det EC pulse Command ShortTitle lview met events table det EC pulse guard Command ShortTitle lview met events table det WL Command SuperTitle Met Met Met Met Met Met Met Met 239 Data Ally Chromatography Manager Operators Manual lview met events table det WL Lambda lview met events table flag in Code ShortTitle Met lview met events table flag out Code ShortTitle Met lview met events table oven Temp ShortTitle lview met events table pump Flow ShortTitle Met lview met events table pump Pct ShortTitle Met lview met events table Time ShortTitle Met lview met events table zone Code ShortTitle Met 14 4 5 PDF DDE Names DDE names referring to fields stored in PDF files pdf Proprietary DDE Field Range Templates Using This Field Ipdf cal Code Full Ipdf cal Description Full Ipdf cal Filename Full Ipdf cal Level Full Ipdf correction Dilution Full Ipdf correction InjectionVolume Full Ipdf correciton Weight Full Ipdf int column Flow Ipdf int column Length Ipdf int column ParticleDiameter Ipdf int Description Full Ipdf int Filename Full Ipdf int unretained Name Ipdf int unretained RT Ipdf is Conc 1 to 5 is Full Ipdf met Description Full Ipdf met Filename Full Ipdf process Date Ipdf process Time Ipdf results Rows Ipdf run Date Full Ipdf run Time Full Ipdf sample BCD Ipdf
245. eviewing and editing chromatograms when idle Either the Graph or the Table window can be made active by clicking the pointer anywhere inside either window The Command Menu bar will change depending upon which window is currently active Either the Graph or Events window can be resized using Windows conventions or moved around on the display at any time as desired The Events Table itself like all other Data Ally tables is a spreadsheet consisting of an expandable set of columns and rows At the top of the Events Table is a special header line consisting of a set of buttons holding the name of each column entry The selection of buttons present is defined in Configuration Each button represents one parameter which can be controlled by the Method from the table usually on a time basis according to the entry in the TIME column When each channel is configured only the types of columns which will actually be relevant to that channel s instruments and applications should be included in the Events Table The order in the table and column sizes for each column button can be set in the Events Table screen as described below Programming a Method which includes control of various instruments or relay flags time dependent responses to various conditions or other time dependent events such as Zone Codes is performed by completing rows and columns in the Events Table Each event which occurs at a specific time in the Method run is normally entered on a s
246. ey must be input for all standards and all unknowns for results to be obtained If such a factor is not input an error condition will result when attempting to perform or update a calibration or generate quantitative results for unknowns Dilution factors can be entered as needed on an individual basis for standards or unknowns at any time if no specific dilution factor is provided Data Ally assumes the dilution factor is one The standard definition of RF above the change in concentration versus change in basis is represented by the default plotting of Corrected Concentration as the ordinate and Basis area or height response as the abscissa in the Calibration Plot window 10 3 1 1 Single Level Calibration For single level calibration the results for each unknown are computed by the formula Actual Concentration RF Basis of unknown Dilution Weight Injection Volume Single level calibration can include as many replicates of the same corrected concentration as desired all replicates being averaged together with equal weighting As long as at least one standard run appears in the Calibration Point Table a single level calibration will be plotted in the Plot window with the theoretical response curve drawn from the plot origin through the logged response value For multiple level external standard calibrations corrected concentrations for each standard are compared to measured peak areas or heights via regression fitting utilizing ei
247. f Table and End of Table leaving all other fields and options blank off Lines will be added to the table with RT entries corresponding to the positions of all current peaks The number of filled rows can be limited by specifying a No of Steps value less than the total number of peaks in the current graph window 172 Data Ally Chromatography Manager Operators Manual 9 3 0 Working with Integration Files The Integration program filing system operates in a manner identical to that of every other Data Ally programming screen The Integration screen display comprising both the top level dialog box and the Peak Table is configured as a template to show information about the current integration peak finding and reporting instructions loaded into the channel being observed This template can be edited using many graphical and other tools to change its contents The contents of the Integration screen display can be saved as a unique Integration file with a unique filename and description so that it can be recalled and reused at any future time either manually or as part of an automated Method or a Sequence of Methods The default Integration file whose name is assigned during Configuration is always loaded automatically into the Integration display screen at the time Data Ally is initialized You can change any aspects of the default file including its Peak Table within the active software except for the features and options which ar
248. ffsets Chromatograms pdfmanh p36 pdf ipdfmanh p36 pdf ipdfmanh p38 pdf Figure 7 34 Display Offset Dialog gt To offset one or more chromatograms click on Offset in the Display submenu The Offset dialog box will appear Figure 7 34 It contains offset fields for each defined stack register and for other displayable parameters such as pump or temperature profiles Offset entries can be defined differently for the same chromatogram in separate Graph windows To specify the amount of offset applied to any chromatogram only click on its offset entry field and type in a positive or negative value in appropriate signal units for the desired offset Then click on OK Note that when you offset a chromatogram graphically by using its filename icon button to drag the entire chromatogram to the desired position the offset created for that chromatogram will appear in its offset field in this dialog You can refer to either this value or the status box signal value to determine the exact offset applied to a chromatogram Offsetting a chromatogram or chromatograms does not change the raw data signal values for that chromatogram but only the apparent display position The same technique is utilized for offset control parameter traces also listed in the Offset dialog depending upon time base configuration Appropriate units must be entered for each item selected offsets will of course only be relevant if the Traces
249. for which incremented values are to be inserted in the No of Steps field 2 To fill a column with incremented values in blank rows up to the next existing entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Increment Current Cell and To Next Entry and enter the increment value in the Increment field leave other fields and options blank off S To fill an existing row s incremented value into more or less empty rows than the number of empty rows found in the current column up to the next entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Increment Current Cell and To Next Entry Type the increment value into the Increment field and the actual number of empty rows to be filled incremented into the No of Steps column with all other fields and options blank off If the No of Steps value exceeds the number of actual intervening empty rows sufficient new rows will be added and filled to meet the No of Steps criteria S To fill all currently empty series of consecutive rows in the column with incremented values based on the rows prior to each empty group of rows click FILL to see the AutoFill dialog select Increment Start of Table End of Table and Allow Progressions Type the increment step value for each row into the Increment field with all other fields and options blank off S To fill a column with increment
250. forget that you must not have the data system running when you step wise modify a template Also don t save a template if you forgot to hold down the Shift key when you opened it The following sections list the proprietary DDE fields available for placement on reports The column labeled as Templates Using This Field include some of the report Templates that now use the field It may be helpful to you to examine those templates and notice how the DDE field is entered and how the cell is included in a Dde Cells name 235 Data Ally Chromatography Manager Operators Manual 14 4 1 Current Context Sensitive DDE Names DDE names specific to the current context Method Integration Sequence or Calibration Proprietary DDE Field Range Templates Using This Field Ihdr Description Cal Int Met Seq Ihdr Filename Cal Int Met Seq Full Ihdr Type Ihdr Version Cal Int Met Seq Ihdr stamp Date Ihdr stamp Time Isignal Cols Isignal Description Isignal Name Met Seq Isum pdf Description Isum pdf Filename Isys Description Isys Name Full Isys Number Cal Int Met Seq Full Isys SerialNumber Isys box Id Isys box slave Enable Isys box slave ld 14 4 2 Calibration DDE Names For Report Heading DDE names referring to fields stored in Calibration files cal Proprietary DDE Field Range Templates Using This Field Ical int Filename Ical is Peaks 1 to 5 is Ical levels Cols Ical peaks Rows Cal Ical points Rows Cal For
251. ft mouse button on Edit in the Command Menu bar and then click on Define Zone Codes in the submenu This will display the Zone Codes submenu Figure 7 18 which works in almost exactly the same manner as the Draw Baseline edit menu HPLC1 lt lt Ready gt gt File Msi Math Display View Print ct RE ae Analyze Calibrate Define Baseline gt Mek Define Zone Codes Draw Zone Codes uen Integ seauence l Calih Figure 7 18 Define Zone Codes Submenu Now click on DRAW ZONE CODES to pop up the Zone Codes dialog box Figure 7 19 The commands for placing moving and clearing zone codes work in exactly the same manner as the Draw Baseline commands See Chapter 9 0 for a complete discussion of all available zone code types 115 Data Ally Chromatography Manager Operators Manual TB1 Rea ile Edit Math Display View Print Integrate Off ies Group Integrate Dropline Riders Skimline Riders Valley to Valley Reset End Zone oom In Zoom Out Undo 0 End Drawing e E amp b e BD DDDDDEB EBD D EBD O DEBEB EB EBD O EBIEBDEBD D EB EB DE INCUN NI Figure 7 19 Zone Codes Editor Pop up The Zone Codes edit menu shows a listing of the available Zone Codes Check BCD Input Integration Off Group Integrate Dropline Riders Skimline Riders Valley to Valley and Reset End Zone To defeat integration in portions of the foreground chromatogram select Integration Off by clicking
252. ge is minimum of 50 mL when using variable injection volume else 30 mL Only one of these parameters should be used If you are using the Dispenser controlled Injection only fill in the Pre Flush Volume see discussion of modes below 15 1 3 Parameters which apply to XT and Basic Plus Models Only e Variable Injection Volume 10 to 490 mL in 10 mL Steps maximum of 50 of loop volume 15 1 4 Connections Between Data Ally and Marathon 1 Locate the Serial Control Cable provided and connect the DB25 connector end to the Marathon RS232 plug Connect the other end to the autosampler control port of the Data Ally System For a Data Ally P1 P2 Interface Module connect it to the port labeled SER 2 For a Data Ally Personal System connect it to the forth serial port connection This is the top port when the connector bracket is installed vertically in the computer chassis 2 Locate the Inject Flag cable and connect the DB15 end to the Marathon XT I O Control port Connect the other end to the S input on the Data Ally Interface Module or the S input of the Data Ally Personal flag connector 3 If the Marathon does not have a DB15 it may have a terminal strip In the case of the terminal strip type I O control connector use a standard Data Ally Flag cable and connect the leads to the N O and COMM positions of the CONTACT section of the Injection Marker 15 1 5 Placing the Marathon in Remote Control Mode e You must always manually place the
253. gram or time base window gt To see a graphic display of all Data Ally time bases on a single screen click on the MONITOR button at bottom right of any GRAPH screen which has the special function of putting views of all the active time base windows present on screen at once When the Monitor screen is displayed clicking on any of the individual time base SoftButtons in any of the separate time base windows will return the full screen view to the selected time base only S To switch the program window being viewed in the current time base click on the SoftButton corresponding to the screen type e g Method Sequence etc you wish to see 4 2 2 Making a Window Active When more than one window is displayed on a screen such as the Method Events Table or Integration Peak Table displays only one window is active at any time and only one window can accept entries The active window is denoted by the active color scheme you designate when setting up Microsoft Windows S To select a window and make it active click anywhere inside that window Alternatively you can click on the Program Control button in the upper left corner of the main window on the screen and choose Next Window or press CTRL F6 until the window you want is active S To make the previous window active again click inside it or press CTRL SHIFT F6 4 2 3 Moving Windows and Dialog Boxes If you need to move an open window on the display in order to see somethi
254. gt gt Be File tdt Mam ROREM View Print Attributes c pyramid alis60 pdf Colors Offset Graph Scaling Split Status Swap Monitor TimeBases Help Method Integ Sequence Calib Utilities co 4 1 E eT E I TE a T TE a A ETE T re HPLC1 BE E EE EER BE RE BE BE EE BE BEBE BE BE BE BEBE BE EBE E8 E Timebase Figure 5 22 Configuration Graph Display Submenu You can select any of the submenu items to set the defaults associated with the assigned default Method file Click on Attributes to set default display attributes Figure 5 23 HPLC1 lt lt Configure gt gt File Edit Math Display View Print Bele Display Attributes Baseline IX Show IX Marks IX Codes Peaks Below Cg DXINSIDES Cg Above Baseline IX Numbers Graph Method Show Retention Times IX Zone Codes IX Large Peaks Only X Annotations IX Named Peaks Only L 4 1 Tes ot be M Figure 5 23 Setting Default Display Attributes In the Attributes dialog click to check or uncheck the boxes to enable or disable all the desired default options These are divided into sections Fill entries determine color filling Show entries determine display of codes or annotations Baseline entries determine what baseline parameters will be shown and Peaks determines what peak descriptors or peaks will be displayed You will see the effects of changing any attributes on the loaded chromatog
255. guration Translate Edit Users Utilities Figure 2 System Security menu items Edit Users amp Logon 257 Data Ally Chromatography Manager Operators Manual gt TB1 lt lt Ready gt gt Administrator hd ea File Configure Quit Figure 3 Set Users Dialog When the Edit Users Dialog appears see Figure 4 you may fill in the User Name Password and other information as appropriate Note that the default access right codes are shown in the lower text window of the Edit Users Dialog box If you wish to change the access rights for the user you are editing you would do so by clicking on the Access button with the left mouse button TB1 lt lt Ready gt gt Administrator File Configure Quit Edit User Profile Username Mr Reader Password 7 Fullname Mr MarkReader Title Lab Worker Department foo s sSSC Access Roles N Configuration R Chromatogram X Method R Integration Figure 4 Edit Users Dialog 258 Data Ally Chromatography Manager Operators Manual amid Chromatogra Manager File Configure Quit Set Access Role Domains Configuration Chromatogram Method Integration Calibration Template Calibration Curve Sequence Reporting Figure 5 User Access Rights Dialog 16 2 2 Setting Users Role Choose an Access Domain by clicking on the item in the Domain List on the left Next choose
256. gure 5 14 ESA 5200 Detector Configuration Setup Dialog You can now select the mode in which the ESA 5200 will be used for programmed control by clicking the appropriate selector button Pulsed or DC and indicating the number of analytical cells to be used if DC mode is chosen In the lower area marked Hardware the currently assigned Processor Interface Module number is listed and the serial port number on that Processor assigned to the detector is given you can change this number if a different port is to be used Ports on the Processor are automatically assigned during configuration on each time base in the order in which devices are defined and configured To enable the actual programmed control via Data Ally click the Enable Control field at lower right to check mark it If this field is not checked the ESA detector in this example is still configured but the actual control mechanism within Method programs will be inactive Click the DESC button to enter a text description for the detector of any length and click OK when done to return to the Setup dialog When the setup appears correct click OK to finish the detector assignment This detector is now set until the current configuration is changed or a new Configuration file is loaded to replace it You can proceed to set up other components in the same manner if their drivers are supplied with your Data Ally software All instrument control interfaces ordered as options with each Data
257. gure gt gt zis Graph En 600 200 o oo 60 10 0 150 200 250 Minutes ro cese pronto Figure 5 15 Configuration Graph Window This Graph window has nearly all the functionality of the normal Data Ally Graph screen Section 6 below so that you can try each feature and option available in order to determine which Graph configuration is best as a default for your applications Note that the RUN SoftButton is non 45 Data Ally Chromatography Manager Operators Manual functional since no live data acquisition or reprocessing is possible from Configuration Mode clicking the RUN button has no effect Configuring Chromatogram File Handling Functions The Graph Files commands are available during Configuration both to load chromatograms for experimentation and to set defaults for file loading and saving If you wish to load a chromatogram file assuming at least one such file is available in order to experiment with configuring display options click the Files command on the top menu bar and select Load from the submenu all other commands in the submenu are inactive the Load dialog will appear Figure 5 16 HPLC1 lt lt Configure gt gt File Edit Math Display View Print Granh LOAD CHROMATOGRAM FILE Directories c pyramid Ec pyramid anticon5 C3 catechol ibn Read Only p Select Detector C3 ergacids m pdf UV Vis C3 program C ECD C3 pyrtemp Calib cm z
258. h segment scans down either side of the peak compares the slope derivative to the Slope Sensitivity threshold and when the threshold is passed uses the Noise Reject value to select a number of data points to test beyond the threshold point to determine if any other peak is encountered If this test on either side of the peak finds no unexpected noise or sub peaks trial baseline is drawn under the peak between the threshold locations A final test is done to be certain that no negative area has been denoted under the trial baseline If negative area is found the baseline is backed off until the negative area is eliminated The trial baseline is then fixed in that segment and the process is repeated for all other similar segments 161 Data Ally Chromatography Manager Operators Manual When this stage two integration is complete all baseline resolved peaks have been fully identified and marked 3 For those segments classified as peak groups based on the observation that the Slope Sensitivity threshold is not met within the group area but only at its edges trial baselines are drawn valley to valley under each group The slopes of those valley to valley baselines are tested against the Baseline Drift parameter If Baseline Drift is exceeded by any valley to valley baseline the trial baseline is forced to a lower slope so that its slope does not exceed the drift threshold All group baselines are tested and redrawn in this ma
259. hat basis Choices for CAL values are blank not calibrated ES External Standard basis or IS1 IS5 Internal Standard basis with IS peak number If Internal Standards have been disabled in Configuration the IS options are excluded Each peak for which quantitative results are to be determined MUST have an entry in its CAL column gt To manually edit CAL click the pointer cursor inside the desired cell to highlight it and type in the new value of CAL You can also use the FILL function below to fill in CAL entries which are repeated for a series of rows or graphically select which peaks are to be calibrated see below The contents of the CAL column will be automatically transferred into a Calibration screen Reference Peak Table when a new Calibration file is set up Section 10 1 The calibration type for each peak can only be edited in the Integration Peak Table which affects all existing Calibration Reference Tables which reference that Peak Table Note that only those peaks which have an associated ES or IS code in the CAL column will be accessible to any Calibration file referencing this Peak Table Therefore you must determine which peaks are to be calibrated and the method of calibration desired before initializing any calibrations based on any peak table e COMMENT Configurable The COMMENT column is used for entry of text comments describing any line in the Peak Table gt To make a comment entry click inside the COMMENT cel
260. he AutoFill dialog select Duplicate Current Cell and End of Table and check the Allow Overwrites command with all other fields and options blank off S To clear remove existing values in an entire column insert a blank row at the beginning of the table place the edit highlight on that row click FILL to see the AutoFill dialog select Duplicate Current Cell and End of Table and check the Allow Overwrites command S To overwrite existing values in a portion of a column with a duplicated value place the edit highlight on the basis row for copying click FILL to see the AutoFill dialog select Duplicate Current Cell End of Table and Allow Overwrites and enter a No of Steps value corresponding to the number of existing rows to be filled with duplicates All other fields and options should be blank off If the number of steps exceeds the number of blank rows in the column the Allow Insertions box must be checked to add sufficient rows to meet the No of Steps criteria 185 Data Ally Chromatography Manager Operators Manual S To clear remove existing values in a portion of a column insert a blank row at the beginning of the range to be cleared or remove an existing row entry place the edit highlight on that row click FILL to see the AutoFill dialog select Duplicate Current Cell End of Table and Allow Overwrites and enter a No of Steps value corresponding to the number of exis
261. he DDE reference must be listed in one of the Dde Cells defined names as described in Section 14 3 2 DDE names available for reports are summarized in section 14 4 14 3 3 Placing And Formatting Page Headers Using Print Titles A page header is a set of information that prints at the top of each page If you wish some DDE fields to be included in the header to be repeated on each page of the report they must be included in a Dde Cells name Also you must include any rows containing desired header fields labels and graphics in the range of rows that define the name Print Titles This name assignment will cause those rows to be printed at the top of each page along with any table column titles which may be present in the named range of rows Usually the column headings for the table will be the last row or two of the Print Titles range Indeed Print Titles usually only contains column headings 14 3 4 Placing and Formatting Data Result Tables Tables in Data Ally reports are of three fundamental types Peak information tables based on the set of enabled peaks from the current Integration Peak Table with selected result and or calibration parameters listed for each peak in a series Summary peak tabulation tables based on enabled peaks found in a Sequence of runs with selected parameters listed for the same peak over a series of runs or injections Summary run tabulation tables with selected parameters listed for each chromatogram fil
262. he Description box in the Save As dialog Figure 10 14 at the time a new or modified Calibration file is saved HPLC1 lt lt Ready gt gt File Help ES TTTHTIUT TN FR PE II n ce Tabi Set Description Pea Graph aie i Peak Oi Method Peak Ty etho Peak Tr m Peak Fc nteg a Peak Fil Press Ctrl Enter to start a new line Peak Si Sequence SE Peak Si 0 0 10 0 a0 o 50 0 60 0 70 0 o Hi7 Calib Loo o o H rename Utilities e Conc ps Int File Ca Filename Figure 10 15 Set Calibration Description Dialog 202 Data Ally Chromatography Manager Operators Manual 10 5 4 Deleting Calibrations gt To delete a Calibration file from the current disk directory use the Windows File Manager Delete function 10 5 5 Printing Calibrations Use the Files Print Calibration command to print a complete summary of the current calibration file Normally each single page in such a printout will summarize the tabular data in the Calibration Point Table for one peak over the complete history of the current Calibration file You can modify the format of this report by using Excel to edit the reports cal cal xls template file see Section 13 203 Data Ally Chromatography Manager Operators Manual 11 0 Running and Reprocessing Batches The Sequence Screen Data Ally can operate in conjunction with and control virtually any automatic sampler for the capture and reprocessing of batches of chromatogram files All batch proc
263. he algorithm parameters within the Edit Integration dialog box as you proceed in order to obtain the desired peak identification and resolution Retention times will be computed either as absolutes or relative to the first defined peak depending upon the setting in the current top level Integration screen S To manually mark peaks or edit chromatogram baselines you can use the Graph Edit Define Baseline commands reintegrating after each manual modification When you have achieved suitable integration for the chromatogram s you can manually produce result reports 2 To make a manual report click on the Graph Edit Analyze command In the Analyze dialog box select the type of report you want e g Area PerCent from the Report Library list box and click on OK to produce the report Quantitative result reports can be obtained if a Calibration file for the current chromatogram already exists 6 4 3 Completing the Integration Peak Table When your chromatogram is properly integrated and edited and all desired retention times for all peaks are shown in the Graph window you can easily complete an Integration program suitable for that chromatogram and save it for later use An Integration Peak Table will be needed to create a Calibration file appropriate for your chromatograms 94 Data Ally Chromatography Manager Operators Manual gt To create a suitable integration program click on the INTEGRATE SoftButton to view the top level Integration
264. he filename before saving HPLC1 lt lt Ready gt gt Intenratinn default int Iread nnlwl SAVE INTEGRATION FILE File To Save c pyramid default int Save As File Name Directories pyramid E ces pyramid anticon5 catechol C3 Imws C3 orgacids pdf List Files of Type Drives Integration Files int c ms dos_5 B Description This is a description Figure 9 10 Integration Files Save As Dialog It is recommended that Integration program files saved to disk be backed up by simply copying the INT files to a floppy disk removable hard disk or tape and preserving the copies in a secure place If modifications are routinely made to the library of INT files backups should occur at routine intervals or even on a daily basis You can use the Files Integration Description command to directly enter a single or multiline description of the current Integration file Alternatively you can enter such a description using the Save As dialog Figure 9 10 when saving a new or modified Integration file Any descriptive text entered using the Integration Description command will be shown in the Description field when reviewing saved files via the Load dialog Figure 9 8 9 3 4 Deleting Integration Files S To delete an Integration file from the current disk directory use the Windows File Manager Delete command 9 3 5 Printing The Integration File Use the Print Integration command in th
265. he previous columns Since at least one Input Flag for remote injection start was configured for this time base you would click to highlight Input Flags in the list to add this parameter as a new column for timed event control Upon clicking OK the table will be restructured and the new columns will appear Figure 5 50 HPLC1 lt lt Configure gt gt File m Graph cApyramidyalis60 pdf Graph Method E La fa RARE E SEERRE M EU SN E BUS RU RN RE SE EL NE MEE UU E DENS BE EEE ERE Ee E EE BE EE BE BEBE BIE BE BEBE BE EBE BE BE B E Integ Sequence BSE a eal Calib i bil Zone Comment Utilities HPLC1 Timebase Figure 5 50 Events Table With Inputs Column Events Table default met You can repeat using the Enable Disable command to add or delete other columns or return to Components configuration to make new options available for events such as pump control depending upon the overall Data Ally configuration in this time base 69 Data Ally Chromatography Manager Operators Manual Next you should adjust the size width and order of any column s in the table in a manner which is optimized for your applications Unlike the addition or removal of columns which can be performed only in configuration mode column sizes and order can be modified at any time while running Data Ally If you will generally perform the same types of applications in this time base it may be convenient to set the best column si
266. hese commands are accessed by clicking the left mouse button on the hyphen bar button at the top left of either the channel full screen window or the Graph program window nested inside the channel window Figure 7 2 The Maximize Minimize and Restore buttons at the top right of either window are also available for resizing and or restoring that window to its previous state HPLC1 lt lt Ready gt gt Restore lay View Print Graph c pyramid pdf 987 571 pdf Minimize Close Alt F4 Switch To CtrltEsc nteg Sequence Figure 7 2 Graph Application Control Menu 7 1 2 Screen Based Commands The Graph screen is always first displayed as a full screen window If Display Attributes are set in the default Method to show graph axes a set of axes will be drawn and labeled with the graph units specified in Configuration and with the display scaling set by Display Scaling in the default Method After chromatogram files are loaded into the Graph screen using the Files commands the trace for each loaded file will appear in the graph window and the filename of each chromatogram will be shown inside a button in an area below the horizontal graph axis The display scaling may change after loading a chromatogram if the auto scaling option is active in Display Scaling There are four screen based command types that can be directly accessed from the Graph using the mouse pointer e Panning The currently displayed view
267. hniques involve the spiking of the same known amount of each internal standard component into all standards and unknowns making programming and computational requirements very simple For a single level internal standard calibration for any peak x the relative response factor is defined as RFre Corrected Concentration of x Basis of IS Basis of x Concentration of IS where IS is the internal standard peak used for peak x By this definition peaks used as internal standards will always have a defined RFre 1 Whenever any internal standards are used in any Calibration file s Reference Table it is assumed that all calculated and reported RF values are RFre Note that internal standard concentrations are never corrected in any manner for dilution weight or injection volume since it is always assumed that the stated value for the amount concentration of internal standard injected represents the exact injected value In most cases if internal standards are used factors correcting for dilution weight injection volume or other sample specific differences are not necessary since the recovery of the internal standard itself will automatically compensate for any of these elements and conditions The value input as IS AMT for any internal standard in the Graph Edit Calibrate or Analyze dialogs the Method Sample Info dialog or the Sequence table will always be returned in any result reports as the actual target value regardless of any
268. hod file for all lines in every Sequence Table Entries in the METH column rows are always valid Method filenames with or without path names You can double click on any row in the METH column to see a pop up listing of all available Method files in the current path Method Name must be set for all rows in the table but it is also possible to modify most of the parameters in each Method on a sample or row specific basis by configuring and using the series of sample specific entry rows for chromatogram filename integration and calibration filename report template and saved filenames and calibration report filename described above Any entries in any of these columns will override any entries of the same parameters in the referenced Method file on the same row in the Sequence table Note that it is thus possible to create a Sequence table using one basic source Method file and to modify the actual processing of each row in the Sequence in a nearly unlimited manner without incorporating many different Method files e CAL CODE Configurable This field identifies the current line row as a standard sample which is to be used to update the selected Calibration file s Entries in the CAL CODE field can be either N start new calibration file R replace existing level or A average new result into current 209 Data Ally Chromatography Manager Operators Manual calibration Entries in this field will override any calibration instructions contain
269. hould verify that the Method DURATION time you are using is sufficiently short so that the next Method will be ready to start before each new autosampler injection After clicking RUN start the autosampler and all the runs will be processed All the chromatogram raw data files will be saved chromatograms will be integrated and any reports you have specified in your Integration program will be printed displayed or saved You can abort the Sequence at any time by clicking on the STOP SoftButton 6 5 0 Exiting the Data Ally System Because Data Ally runs in Windows you do not need to exit the system to run any other application s To start or select another application click on the RESTORE button double headed vertical arrow at the top right of the current time base window and then use the mouse pointer to resize the time base window so that you can see the Program Manager icon or any other running application icons beneath it Double click on the Program Manager icon or any other application icon to view a new window and select a new function or application Data Ally will remain in operation in the background while this is occurring You can return to Data Ally at any time by using the SWITCH TO command in the Control Application Menu of any other application or by resizing or moving the other application window s to see any Data Ally window clicking inside the Data Ally window to make it active and then resizing it as desired When
270. hs to a very small size An ENABLE column which numbers lines in the Reference Table is provided as for the other Data Ally tables This column can be used to enable or disable individual peaks from the Peak Table in order to select whether they are calibrated or not Normally each enabled or active row corresponding to one peak will have a colored highlight in this first left hand column To disable a peak double click inside the enable column in its row to remove the highlight To re enable it double click again to restore the highlight The CUT COPY PASTE command buttons found at the bottom of the Calibration screen can be used with both the Reference Peak Table and to a limited extent with the Calibration Data table below The active table window in this screen will access these buttons In the Reference Table because the row contents of this table are fixed by its relationship to a predefined Integration Peak Table the RT and Peakname columns cannot be edited directly to change RT or Peakname simply change the source Integration screen Peak Table which will automatically modify these parameters in all Calibration Reference Tables based on that Peak Table However all other columns in the Reference Table can be cut or copied pasted and filled the FILL button is provided for automatic filling of columns which define Basis Fit Type Units and Levels via the standard AutoFill dialog box Every calibrated peak in the Reference Peak Tabl
271. hy Manager Operators Manual Click inside the entry field and type in the new name for this button up to eight characters per line You can also enter a second line press the CTRL and ENTER keys together to move to the second line and type characters Note that the nominal title of each button is always listed above the entry field in this example Hold to help you identify the function of each button you are renaming no matter what actual name you assign If you wish to change the text color for a better match to or contrast against the selected background color click inside the Title Color field When the button name is indicated correctly with the desired color click OK to rename the button or Cancel to escape This same mechanism is used to rename and recolor all the Data Ally left column SoftButtons at any time and with all other buttons found at the bottom of the Method Events Integration Peak Table Calibration Tables and Sequence screens You can select any combination of colors and names desired You should assign the names which are the most familiar to the system operators and the most appropriate for your specific applications You can also rearrange the order of the three buttons at bottom right of the Graph configuration screen within the solid border that surrounds them To move a button to a different position simply move the mouse pointer onto that button hold down the left mouse button and drag the entire button t
272. hy Manager Operators Manual You can simply point at any cell in the table with the cursor pointer and click with the left button to move the Edit cell immediately to the new cell location The following keys and commands can be used to move around in any table Right and Bottom Scroll Bars ENTER Key Use the vertical right side scroll bars to move up or down in the table if it has too many rows to show inside the existing table window Use the bottom scroll bar to view columns not observed in the existing table window Press the ENTER key to move the Edit cell highlight one column position to the right At the end of each row last column in that row pressing ENTER again will move the cursor to the first column in the next row TAB Key CTRL gt CTRL CTRL f CTRL 9 CTRL HOME CTRL END PgUp PgDn CTRL PgUp CTRL PgDn Press TAB to move the Edit cell highlight one column position to the right in the same manner as ENTER Press the CTRL and right arrow keys simultaneously to move the Edit cell highlight one cell to the right Press the CTRL and left arrow keys simultaneously to move the Edit cell highlight one cell to the left Press the CTRL and up arrow keys simultaneously to move the Edit cell highlight one row upward in the table Press the CTRL and down arrow keys simultaneously to move the Edit cell highlight one row downward in the table Press the CTRL and HOME keys si
273. icking on Clear Contents You can directly type fixed text characters into any cell s adjacent to a DDE field cell as labels or explanations for the DDE field parameter Cells containing descriptive text of this nature can be moved or copied from other locations in the existing worksheet using the Cut or Copy commands in Excel as described in section 14 2 3 14 2 3 Moving Data From One Cell To Another Cut or move the value formula or DDE field from an already existing cell in the current worksheet by selecting that cell clicking the right mouse button to see the Edit pop up menu and clicking on Cut Move the mouse pointer to the desired new cell position click on that cell to highlight it and click the right button for the Edit pop up menu Then select Paste to place the contents in the new cell Copy the value formula or DDE field from an already existing cell in the current worksheet by selecting that cell clicking the right mouse button to see the Edit pop up menu and clicking on Copy Move the pointer to the new cell position click on that cell to highlight it and click the right button for the Edit pop up menu Then select Paste to place the contents in the new cell 14 2 4 Using The Name Box The name box appears in the top left corner of the top screen message line and has a down arrow to the right of it When a cell is selected the name box usually displays row column description for the cell 231 Data Ally Chromatography M
274. identified peaks you will want to include in reports If you want to calibrate and quantitate certain peaks in this chromatogram you will need to enter the type of calibration you wish to use in the CAL column of the new Peak Table If all peaks are to be calibrated with External Standards simply click the pointer inside the first row in the CAL column and type ES Then click on the FILL button click on Duplicate and click OK in the AutoFill dialog to fill the ES entry into all the peak rows If you want to run one or more internal standards for quantitation of your chromatogram you must first identify the internal standard peak s To do this find the first internal standard peak in the table and click the pointer inside its row in the IS column Type the number 1 in that cell to designate that peak as Internal Standard No 1 Assign any other internal standard peaks in the same manner by giving those peaks unique numbers up to 5 in the IS column Then make entries of ISx for each non internal standard peak to be computed using any internal standard peak x either by directly typing those entries into the CAL column instead of the ES entry for Ext Standard Be sure to include the correct Internal Standard Peak reference number 1 through 5 to link each unknown peak to its corresponding internal standard peak You have now defined a basic Peak Table If you like you can now edit the table to add peak referencing comments and other
275. iguration changes before initializing Data Ally click CANCEL to return to configuration mode After clicking Yes or No the Data Ally software will be restarted according to the instructions in the selected configuration file When the hourglass cursor disappears all time bases will be ready for use You can proceed to write programs or run methods directly using the default program files you have created Any Configuration file can be used at any time to reset and reinitialize the Data Ally software simply by entering configuration mode loading the desired configuration file or modifying any configuration file as needed and using the Exit Configuration command followed by a Yes response in the Exiting Configuration dialog 5 3 0 Configuration Files When you enter Configuration Mode the Data Ally software changes so that only the contents of Configuration files are displayed and available for editing Each time the Configure command is used in the Utilities screen the currently applied Configuration file is loaded for viewing in Configuration Mode If you wish to review and edit a Configuration file which is not currently in use you can easily load any CFG file on any existing disk or device You can also save the complete contents of Configuration Mode to overwrite an existing configuration file with new information or as a completely new file in any location on disk It is recommended that you create and archive as many different Co
276. ile handling display and comparison functions METHOD Screen Shows system instructions for running a Method to capture chromatograms save and analyze them and make reports Also contains all events instructions for instrument control during the course of the Method INTEGRATION Screen Shows system instructions for integrating a chromatogram and identifying its peaks Also contains calibration information regarding each defined peak CALIBRATION Screen Shows all current calibration information for a loaded chromatogram including a summary of selected data from all standard injections and a graphic plot of the calibration response curve SEQUENCE Screen Shows system instructions for running a batch analysis using an autosampler or for reprocessing batches of chromatograms Selects order of injections and sets all control parameters for an autosampler UTILITIES Screen Accesses configuration settings 91 Data Ally Chromatography Manager Operators Manual Each screen type has its own associated blue SoftButton drawn in the left edge area of every Data Ally display Clicking on a SoftButton at any point in the software will display the selected screen type in the current time base The contents of each of the principal display screens can be modified by using Data Ally s Configuration functions for complete customization of each time base in the system Data Ally is organized into full screen or maximized time base wind
277. ill automatically appear in this configuration screen as well the two locations in the software are interconnected It is normally suggested that you use the default values supplied for these fields when beginning to use Data Ally until you acquire some representative chromatograms and gain a better understanding of the operation of the integration algorithm However if you have already used Data Ally or have other Data Ally units on hand you may wish to transfer a known integration algorithm parameter set from another existing program file by using the Assign command see below To enter a description for the default Integration program file click the File command on the top command menu bar to see the File submenu Figure 5 54 72 Data Ally Chromatography Manager Operators Manual TBI lt lt Ready gt gt File Assign Integration Integration Description Clear Integration y fault int Print Integration Integration default int Integ Slope Interval Baseline Drift Sequence Min Height Calib Min Width Min Area Utilities Dropline Ratio HPLC1 Timebase Figure 5 54 Integration Default File Submenu Click on Integration Description in the submenu A Description Entry dialog box will appear Figure 5 55 type in the desired description of any length on one or more lines and click OK when finished HPLC1 lt lt Configure gt gt File E Help Set Description Graph
278. ill replace the cursor pointer on screen Place the hand on top of the first code to be moved and click on the left mouse button to grab the code While holding the left button down moving the hand icon will cause the code to be dragged in any direction and baseline associated with that code to be redrawn When the code is in the desired position release the mouse button to anchor it the effect of the change will be instantly reintegrated and displayed S To terminate moving of codes click on the right mouse button to display the editing pop up menu and click on any other option or on End Drawing 7 3 3 5 Clearing Erasing Baseline Codes S To clear individual baseline codes already placed click on the right mouse button to display the pop up editing menu Figure 7 15 and click on Clear Codes to activate the clear function A clear icon will replace the pointer cursor Move the icon on top of any code desired and click on the left mouse button to clear that code After each Clear step its effect is immediately reintegrated and displayed Note that clearing one of a pair of B E codes defining a peak or a skim will automatically clear both codes clearing a B or E code defining a range of fused peaks will clear some or all of the individual fused peaks depending upon how the peaks have been separated You can clear as 113 Data Ally Chromatography Manager Operators Manual many individual codes as desired in this manner To terminate
279. in The same settings will apply to separate page chromatogram printouts made automatically as part of Method or Sequence execution 7 7 2 Selecting Information Included On Chromatogram Printouts The Printout Info command allows a set of informational parameters to be included in any chromatogram printout whether performed manually using the Print submenu or automatically at the end of a Method or Sequence Once a group of parameters is chosen using the Print Info dialog that information is always printed along with chromatogram graphics S To set up information on chromatogram printouts click on the Printout Info command to see the Printout Info dialog box Figure 7 46 135 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt me Hit Math Display View Print Graph cApyramidipdfimanh p36 pdf 21 Printout Info Chromatogram Info Sample Info File Name Name Description F Version Number Run Info F Date and Time I Description I Description File Names EF Method File I Injection Print Info Integration File Date and Time I Sequence File Figure 7 46 Printout Info Dialog Inside the Printout Info dialog are a number of check boxes corresponding to various system information items All the items in the Run Info Chromatogram Info and Sample Info blocks are relevant to the foreground loaded chromatogram file only To select the set of desired items ch
280. in full screen mode in a window or iconized Run Errors A run error occurs when an unexpected condition occurs during operation After a run error a message box will appear stating the type of error Figure 17 9 shows an example of a Communications Error dialog box which occurs when an attempt is made to start a Data Ally Method when the Communications Processor connected to that time base is not powered or its cable is disconnected NOTE To clear such messages press the reset button located on the rear edge of the circuit board This will cause the software to re synch with the hardware 263 Data Ally Chromatography Manager Operators Manual Generally these errors are non fatal and operation will resume immediately after the message is cleared instructions are given in the message box concerning the probable cause of the error However in some cases the same message box will be repeated indefinitely signifying a semi fatal error which will prevent further normal operation To clear this condition exit the Data Ally software in the normal manner or reboot the computer using the CTRL ALT DEL command HPLC1 lt lt Establishing Communications Method default met read only Run Detectors Resolution Duration 10 min Ix uvvis 10 pt ei aam E Method Onti CommunicationslinkEror mu bak Interface Module is not responding Ident Check cable and power connections and on Check f
281. in the annotation text you wish to add The text will automatically wrap from line to line as you type When you have finished the annotation click on OK to complete it HPLC Reap sd dF I Pa fhe E d RR T Annotate H Annotation axm System Configuration Figure 13 6 Help Annotation Dialog These steps can be repeated to add more text after existing annotation s However only the sum of all annotations made can be erased below 226 Data Ally Chromatography Manager Operators Manual 2 To see a Help annotation view the Help topic with the annotation then click on the paper clip symbol Alternatively you can press the TAB key to highlight the paper clip symbol and then press ENTER The annotation will appear Click on CANCEL to clear the annotation S To erase an annotation click the paper clip symbol on the current Help topic to see the annotation Click on the DELETE button to remove the annotation Use of DELETE will remove all the contents of the annotation window even if the window includes several annotations added at different times 227 Data Ally Chromatography Manager Operators Manual 14 0 Reporting with Microsoft Excel Data Ally utilizes Microsoft Excel v 5 0 or higher to format prepare display and print any type of customized report desired Italicized words in this section are intended to be consistent with terms referred to in Excel documentation Info
282. inal concentration levels can appear in the Calibration Reference Table the number of corrected concentration levels can exceed 16 if various correction coefficients such as dilution weight injection volume or user defined factors are utilized With Interpolated fits the Calibration Plot window always plots only the theoretical curve between each of the interpolated segments The IO fit through zero code can be used to extend an interpolated fit from the lowest standard response value in the Calibration Point Table to the origin Unknown peaks which have a response basis below the lowest value in the plot or above the highest value will not be computed and will be labeled beyond interpolation limits in any quantitative reports produced 10 3 2 Internal Standard Calibration In order to compensate for inter run or inter sample differences internal standard components can be added to all standard and unknown samples and employed to correct for such variations Although no single component peak in any chromatogram can have more than one associated internal standard peak it is possible to have up to five different sets of peaks associated with five different internal standard components in a single chromatogram lt is also possible for some peaks in a chromatogram to be calibrated only with external standards while others are referenced to internal standards Note that when Internal Standards are used all calibration standards and unknowns mu
283. indow Zooming differs from panning in that it effectively changes the magnification of the display S To zoom for expanding the current view move the mouse pointer cursor to any position which defines any corner of the desired new full screen view press the left mouse button and move the mouse pointer while holding the left button down Figure 7 4 A dotted rectangle will be drawn as the pointer moves which defines the area of the display to be zoomed to fill the full screen When the desired area is rubber banded inside the dotted line box release the mouse button and the display will change to show the zoomed view HPLC1 lt lt Ready gt gt File Edit Math Display View Print Hep Graph c pyramid pdf 987 571 pdf Graph AT ONE CORNER OF AREA TO BE ZOOMED HOLD amp PENES DOWN LEFT MOUSE BUTTON DRAW BOX AROUND w Integ Sequence Calib Utilities HPLC1 Timebase HPLC1 Edit TB2 Timebase TB2 Edit Figure 7 4 Rubber Band Display Zooming 32841 32 UN Ms cpyramidipdfias7 5 1 pdf jets ents The zoom feature can be used repeatedly to expand any area of the screen as much as desired Data Ally tracks each zoom command and allows you to instantly unzoom back to the previous view To unzoom press and release the right mouse button The previous zoomed view will immediately be restored in the active window An alternative mode of zooming Zoom Center can be initiated using View Zoo
284. ing the AutoFill functions or graphical entry of controllable column parameters see below e PUMPA PUMPB PUMPC PUMPD Configurable HPLC Channel only The PumpX columns set relative mixing percentages for from two to four pumps running simultaneously for gradient HPLC These columns are only included in the Table based on the number of controllable HPLC pumps actually connected in this channel Entries in each column are in percent from 0 to 100 The system automatically adjusts entries into each of the columns so that the total per cent for all pumps is always 100 The entries made in all the X columns in the table are plotted on the channel s current Graph window if the Graph Display commands are set accordingly When the Events Table is executed during a Method the software sets all pumps as required at each time point when it finds a command to change any pump Between the previous command and the next command the system assumes changes in the pump status gradient will be linear in nature and ramps between time dependent states in a linear fashion 146 Data Ally Chromatography Manager Operators Manual S To edit any of the PUMPX fields click the left mouse button with the pointer cursor inside any cell in any of these columns and type in the desired value in per cent If certain pumps are not used in certain Methods their columns can be left blank These columns cannot be edited using the AutoFill function As soon as an en
285. instructions depending upon what table options have been configured You can also click on the INTEG button below the table to return to the top level Integration screen to define reports and other options S To save the Integration program when both the top level Integration display and its associated Peak Table are completed click on the Files Save As command to save the new Integration program for later use 6 4 4 Setting Up a Calibration File Now that you have defined a valid Integration file with Peak Table you are ready to construct a Calibration file for quantitation S To create a new Calibration file click on the Calibrate SoftButton to see the Calibration screen display Click on Files on its command bar menu to see the Files submenu and click on Setup The Setup dialog box will appear 95 Data Ally Chromatography Manager Operators Manual Click on the arrow selector button to the right of the Reference Integration file entry field to see a listing of current Integration files in memory The newly saved Integration program with your new peak table should be shown in the listing Click on the name of that program to insert it into the field Now select the number of standard levels you will use to calibrate by clicking on the selector arrow for the No of Levels entry field and choosing the desired number you must have at least one level defined in any Calibration file When completed click on OK The Calibration Refere
286. inter Click on Format in the Excel Command Menu bar to see the Format submenu Click on either Row Height or Column Width to bring up the dialog box for changing that parameter Type in the new desired height or width or specify the standard value and click on OK The selected range will be resized 14 2 2 Changing Contents of a Single Cell In Data Ally report template XLS files each cell may contain either no information a value of fixed alphabetic or numeric data of any type an Excel formula a function call or a Data Ally DDE field Once the insertion point is set in a cell the following changes can be made to it Text or numbers can be directly typed into the report cell 669 An Excel formula can be directly typed into a report cell Formulas must always begin with the character Read your Excel User s Guide and Excel Function Reference to find out all you need to know about available formulas functions and their use A proprietary Data Ally DDE field can be directly entered into a report cell Data Ally DDE references all contain an exclamation point as the first character The name is taken from the list of available DDE fields as listed in Section 14 4 It is also required that each DDE field be individually listed in a Dde_Cells defined name as described below You can clear any existing or previous DDE field entry by selecting the cell where that field appears clicking on the right button to see the Edit pop up and cl
287. inter cursor on that column s header button hold down the left mouse button and drag the header button left or right to the new desired position relative to the other columns When the pointer is in the desired position release the mouse button and the entire column will be moved and the table redrawn accordingly Modifying the order of columns may make certain types of table editing or review easier by allowing placement of all columns currently being manipulated in view on a single screen you can easily move unimportant column information to the right and off of the displayed table window area To change the width of any individual column move the pointer cursor to the border of its header button and the next column header button in the direction in which you wish to expand or reduce the column width The cursor will become a double sided horizontal arrow when this change occurs immediately hold down the left mouse button and move the arrow cursor in the direction you wish the button edge to expand or contract When the desired column width is indicated by the position of the cursor release the mouse button and the column will be resized and the entire table redrawn accordingly This feature permits you to match the exact sizing of each column to the expected character width of the entries expected in that column you can also effectively remove certain columns without actually eliminating them from the table by reducing their widt
288. ion are shown in one color in the Plot while points which are disabled via double clicking the ENABLE line number column and not included in the current Calibration computation are shown in red The Plot window normally uses AutoScaling to size its axes to contain the highest value points from the current calibration It is also normally defaulted to plot standard concentration corrected concentration versus basis area or height 188 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt File ME Caibationcuve B 105 0 Graph Method Integ Calib Utilities 1 Timebase B pP HPLC1 c Edit Timebase EN 2 soo E ETN E Figure 10 8 Calibration Plot Window Superimposed over the scatter plot of all the standard data points is the current calibration curve which is computed using the curve fit method currently selected in the Reference Peak Table for the current peak The fit method can be changed easily for replotting For close visual inspection of a calibration plot it may be convenient to maximize the Plot window by clicking on its Program Control Maximize button at upper right The Plot window can of course also be resized and moved to any desired location or shape on screen The current curve fitting coefficients and FIT mode are displayed in the upper left corner of the Plot window at all times for the peak whose data is being viewed The Plot window is no
289. ion intercept value through the maximum standard concentration basis found in the current Calibration Table 10 3 2 4 Multiple Level Internal Standard Calibration Interpolation To use the Interpolated curve fitting option select the I or I0 code in the Reference Table FIT column for any peak s Interpolated fitting operates in exactly the same manner as for external standard calibrations the only distinction is that Relative Basis is used to fit each linear response curve segment between adjacent concentration levels Each segment has a unique slope KB and intercept KC which is used only to find results for relative responses falling within that segment As for external standardization the Calibration Plot window plots only the theoretical curve between each of the interpolated segments unless the 10 code is used to force the lowest standard response value in the Calibration Point Table to be extrapolated through zero level With the code unknown peaks which have a response basis below the lowest value in the plot or above the highest value will not be computed and will be labeled beyond interpolation limits in any quantitative reports produced 10 4 0 Building Reviewing and Modifying Calibrations 10 3 1 Building a New Calibration Table Posting the results of standard chromatograms into a Calibration Point Table can be done manually or automatically in a Method or Sequence of Methods Any existing Calibration file can be upd
290. ion the IRQ jumpers on the Host Adapter card or Personal card to the new IRQ setting and edit the System ni file as needed 262 Data Ally Chromatography Manager Operators Manual In case of a serial mismatch not resolved as above it is recommended that all cards interfaces and subsystems on the PC be checked to verify that the interrupt and DMA channel numbers above are not being utilized elsewhere Reviewing the documentation for the PC and for other installed cards and interfaces may be necessary to confirm such settings which can also usually be determined by observing the positions of jumpers or switches physically located on the PC s mother board or other cards In some instances it will be possible to disable the interrupt or DMA settings used by other cards or devices if they conflict with those used by Data Ally or to reset them differently YOU SHOULD NOT RESET THE DMA SETTINGS AND JUMPERS ON THE Data Ally DATA ALLY CARD If there appears to be a conflict here contact your distributor for assistance Another possible cause of Serial Mismatch is a speed incompatibility between the PC and the Data Ally Data Ally Card In certain cases it may be possible to change the computer s AT Buss wait states to compensate for such an effect Contact your distributor for instructions before attempting to make any such adjustments 17 1 2 Other Startup Error Messages It is possible that certain error messages other than Serial Mismatch will
291. ion will be available for inclusion in any reports made with this method if correction factors such as dilution and weight or internal standard amounts are entered these values can be used to compute reported results If Internal Standardization is used the values for each Internal Standard peak may be defined in the appropriate Calibration file s Reference Peak Table Those values will be used when a Method is employed to run a standard if no IS AMT values are entered into the Sample Info dialog Entries made for any standard Method in the IS AMT fields will override existing values for internal standard concentrations found in the Calibration file ENTRIES OF IS AMT MUST ALWAYS BE MADE FOR UNKNOWN SAMPLES EITHER HERE IN THE SAMPLE INFO DIALOG OR IN THE SEQUENCE TABLE or when using the Analyze command When all the desired information is entered correctly click OK to return to the top level Method screen or click Cancel 8 2 4 Setting Results Criteria The boxed area in the center of the screen labeled Results Figure 8 4 instructs the Method to save and integrate chromatogram files which are captured from each detector input and allows designation of specific calibration schemes if so desired Default settings and filenames may be present in the fields in this section entered in Configuration or they may be blank Results Filename Integration Calibration Lev Type ovvie im epore foeon E faete all ecan Regens e
292. is enabled e First Time in Fill From Graph mode this field allows selection of any starting time for filling a new or existing Events table with Zone Codes other than the normal time 0 start This permits only a partial set of timed zone codes to be automatically filled in any one fill cycle e Last Time in Fill From Graph mode this field allows selection of any ending time for filling a new or existing Events table with Zone Codes other than the normal end of table end This permits only a partial set of timed zone codes to be automatically filled in any one fill cycle e Allow Insertions this checkbox command if checked allows automatic insertion and filling of new rows in an existing table if this is necessary to meet the No of Steps criteria in a Duplicate Increment or Fill From Graph operation 150 Data Ally Chromatography Manager Operators Manual e Allow Progressions this checkbox command if checked allows values in column cells below the base start cell to be employed for filling subsequent rows or for forcing values of intermediate rows e Allow Overwrites this checkbox command if checked allows replacement of existing values in rows in the current table with new values over the selected range in any filling mode You can choose various combinations of options in the AutoFill dialog as described below to accomplish the following tasks click on OK after setting up the Fill dialog as dire
293. is 31 4 40 Dat Aly Tables 4i eet e ee esteem ene ot Ri eee emu icis 31 4 4 1 Moving Around in Tables ie iere etie eere euet a rre ie e ei eee ipee 31 4 4 2 Adding Moving Copying and Changing ROWS esee eene enne 33 5 0 Configuring Data Ally eee ttr nOD e pedet DR tet ete gu DR ER t dern 35 5 1 0 Configuration Pies heit edet e ee at e ete ei dele pte dr eie 35 5 2 0 Performing a Startup Configuration essent enne nennen trennen eren rennen ene 35 5 2 1 Selecting Configured Components ene nren rene ener 37 5 22 Configuring Signal Inputs tete cine rhe REO terere EEn rhe Tee he prep eene 38 5 2 3 Configuring Relay Flags nose rhetor itae eed eis d 41 5 24 Deleting Componerits 2 iter det ete he oie mee retinere eie e tete bietet 42 5 2 5 Setting Controlled System Instrument Components eese eerte enne 43 5 2 6 Program Screen Options Menus and Defaults sessesseseeeeeeee rennen 45 5 3 0 Configuration Fes eei ee hen aeter eri e E d e Rep 89 5 3 1 Saving Configuration Files eter e eer ESTEE eerte Ree rennen eed 89 5 3 2 Loading Configuration Files ssessssessessesseeeeeeeere nennen entente trennen trente ener etre enne 90 5 3 3 Deleting Configuration Files erret reticere ree e rhe e TR yee ripe b rere tun 90 6 0 Getting Started oto nU UR Uer n ictetucetin cd oett Rer Us Een de Et 91 6 1 0 Operating Structure a
294. ish cal y catechol Sequence Y Imws orgacids Calib pdf program Utilities C3 pyrtemp List Files of Type Drives Calibration Files cal s c ms dos 5 B T LI ESESSESESISES A Figure 10 12 Calibration Files Load Dialog If the previous file has been edited and has not been saved or resaved an information message will appear before the new file is loaded asking if the previous file should be saved If so click on YES and assign either the same filename or a new name as desired If you do not wish to save the edited file click on NO to proceed When a new file is loaded it will overwrite the previous Calibration file At any time you can re load the default Calibration File which is set in Configuration Section 5 2 5 4 This file is unique in that it can only be modified in Configuration mode it can contain a complete set of calibration data if desired To load the default file use the Files Load Default command which will show the name of the default calibration When this command is executed the default file will overwrite any existing calibration file present in the current time base 10 5 2 Clearing Calibrations The Clear function allows individual clearing of either the Calibration Point Table the standard data or the Reference Table the Level values plus fit basis and units parameters without using Setup or deleting an existing file or both gt To clear any part of the current
295. it with the left mouse button A box pointer containing an IntOff code will appear which can be moved along the time axis At the first time point where integration is to be disabled click the left mouse button and an IntOff code will be dropped on the time axis The cursor will then change into an Reset code pointer At the following point where integration is to be resumed click again and a Reset character will appear Figure 7 20 You can continue to place additional pairs of IntOff Reset codes as desired when complete click the right mouse button again to redisplay the zone codes edit pop up Note As you place zone codes on the graph the time location and zone code command will be automatically inserted into the Method Events Table s Time and Zone Columns Pyramid Chromatography Manager t Math Display View Print Graph c st8 pdficall O0is pdf Events Table default met read only mue Tobie detoutmet reator 0 00 m n Zone Comment 1 1 016 IntOff Figure 7 20 Zone Codes Placed Along Graph Time Axis 116 Data Ally Chromatography Manager Operators Manual To designate timed regions in which the baseline is to be forced into the valley points click the left mouse button on Valley to Valley in the pop up A special pointer containing VtoV will appear Move to the first time point where you wish to begin forcing the baseline up into the peak valleys and click the left mouse button to drop
296. ited or new templates prepared for custom reports see Section 16 HPLC1 lt lt Ready gt gt ile Edit Math Display View Print raph clpyramidipdf 987 571 pdt c Analyze Correction Factors Internal Standard Amounts Dilution IS1 Weight mm EM EM Report Template Filename Print Show areapctxis s x r Figure 7 21 Manual Analyze Dialog If you want or need to enter sample specific information such as Sample Name or Dilution factor click inside the appropriate field and type in or change the entry as desired Reconfiguring the current Data Ally time base to remove certain types of entry fields will remove those fields from the Analyze dialog as well Note that only the correction factors sample information fields and other items which have been set in configuration for this time base will be active and visible in order to enable additional items you must re configure the current time base before proceeding For a complete explanation of the use of correction factors and internal standards in quantitative calculations see section 10 3 below Click on the check boxes to toggle screen display or printing of the report on or off Any combination of these options can be used If you wish to save the report you must enter a filename in the filename entry box Click on the arrow at the right side of the roll down list box labeled TEMPLATE to see a complete listing of all curre
297. ith WIN and a space or whatever command and path to start your particular Windows program C Data Ally Data Ally EXE start 1 2 217 Data Ally Chromatography Manager Operators Manual 12 0 Utilities The Data Ally Utilities screen Figure 12 1 displayed via the UTIL SoftButton in any channel includes the Configuration functions accessible only to the System Manager and the Exit command which terminates Data Ally operation None of the Utilities functions are essential to routine acquisition processing and reporting of chromatography data Any function in the Utilities Command Menu can be used at any time in any channel whether or not that channel is actively running a Method or Sequence In many cases the Utilities screen and its contents will not be required at all by certain system operators Figure 12 1 UTILITIES Screen 12 1 0 Utilities Files Commands The Utilities screen contains a set of file related functions accessible by clicking the Files command on the menu bar to see the Files submenu Figure 12 2 HPLC1 lt lt Ready gt gt AIGE Configure Quit Load Configuration Utilities pyramid cfg read only Translate b Figure 12 2 Utilities Files Submenu The two commands available in the submenu allow you to load a new configuration file to reset the overall system parameters without entering Configuration mode or to translate existing data system raw data files from other formats into Data Ally rea
298. ities accesses the Configuration Mode Section 5 This is the only point in the Data Ally software at which Configuration Mode can be entered Instructions for using the Configure submenu are found in the section on Configuration 12 2 1 Exiting the Data Ally System You can quit the Data Ally software only from the Utilities screen via the Quit command gt To quit running Data Ally and remain in Windows click on Quit in the Command Menu bar then click on Exit to Application A trap message dialog box will appear to verify that you wish to quit Click on YES to quit All active Data Ally windows and icons will be closed and any other software running in Windows will continue unaffected 222 Data Ally Chromatography Manager Operators Manual 13 0 Data Ally Help Functions Like other Windows applications Data Ally provides a substantial amount of built in Help which is instantly accessible from anywhere in the software The yellow HELP SoftButton at the top left of each Data Ally screen can be used to display Help dialog boxes at any time 13 1 0 Using the HELP System 2 To get HELP at any time while running Data Ally click the HELP SoftButton or click the Help command in the current dialog menu bar if one is present a HELP window will appear Figure 13 1 po 11 1 HPA Ready sd dF I Math Display View LL Gel rie tdi Bookmark Help This is the first screen displayed on power up The available parameters and their fun
299. itles This name is used to define headings for tables which will print at the top of each page This must be a row s reference which is created as described in section 14 2 5 2 Summary Bound This name when it is used describes the row below Summary Origin It is only used when Summary Origin defines multiple rows and is then only required when using the special Visual Basic Routines for manipulating tuples with multiple rows This must be a row s reference which is created as described in section 14 2 5 2 Summary Origin This name is used to describe a range on a Summary Report that contains summary data This must be a Named Range which is created as described in section 14 2 5 1 Table Origin This name is used to describe a table containing DDE names on a report template This must be a Named Range which is created as described in section 14 2 5 1 When more DDE fields are required than will fit on the page the report can be adjusted for landscape mode to add the extra fields or the DDE fields can be divided among multiple tables Additional tables can be included on the report by defining their rectangles using of DDE name Table Originl Table Origin2 under Table Origin 14 3 0 Modifying Existing Report Template Styles It is easy to change Excel based report template files to create exactly the report formats desired using information that will be sent from Data Ally To get started the best approach is usually to change an already existi
300. l 4 2 6 Closing a Window S To close a window double click on the Application or Program Control Menu button at the upper left corner of the current window Figure 4 4 The window will close and be removed from the display Alternatively click on the Application or Program Control Menu button and select the Close option by clicking on it or by pressing CTRL F4 4 2 7 Minimizing a Window In Data Ally you can minimize any of the available time base windows so that they become iconized using the Minimize function Iconizing a time base will remove that time base s display from the screen and place an icon representing that time base at the bottom edge of the screen Iconized time bases remain fully functional and will continue to execute any ongoing Methods Sequences or other activities while iconized even though the executing functions cannot be observed while a window is iconized Note that iconizing a time base actually iconizes both the active and edit time bases associated with the selected system S To minimize a time base window click the left mouse button with the pointer on the Minimize button down arrow at top right of the screen Alternatively click on the Application or Program Control menu button and select the Minimize command S To restore an iconized time base double click the left mouse button with the pointer on its icon which will place the time base window back on the screen in its last size and orientati
301. l column in the Events Table along with the widths colors and order of those buttons columns in the table can be modified in Configuration You can easily re order the columns in the Events Table from left to right or change their individual widths at any time Both the column order and widths are set as defaults in Configuration To move a column to another position in the table simply place the pointer cursor on that column s header button hold down the left mouse button and drag the header button left or right to the new desired position relative to the other columns When the pointer is in the desired position release the mouse button and the entire column will be moved and the table redrawn accordingly Modifying the order of columns may make certain types of table editing or review easier by allowing placement of all columns currently being manipulated in view on a single screen you can easily move unimportant column information to the right and off of the displayed table window area To change the width of any individual column move the pointer cursor to the border of its header button and the next column header button in the direction in which you wish to expand or reduce the column width The cursor will become a double sided horizontal arrow when this change occurs immediately hold down the left mouse button and move the arrow cursor in the direction you wish the button edge to expand or contract When the desired colum
302. l in the desired row and type in the entry 9 2 3 Entering Peak Table Values There are three ways to enter values for any parameter into the Peak Table 1 Move the pointer into any cell in the table and click so that the highlight and the flashing text entry cursor are moved into that cell Then type any desired entry into the cell directly To move to any other cell either point to a different cell and click the left mouse button or press the ENTER key to move the highlight from cell to cell left to right and then downward row by row until the desired cell is reached 2 Copy information from an already entered row into a new row using the COPY and PASTE commands To copy a row move the pointer to the row to be copied and click the left button to place the highlight in that row Click on the COPY button to make a copy of the highlighted row Now move the pointer to the row just below where you want to insert the copied row and click anywhere in that row to place the highlight Click the left mouse button on PASTE and the copied row will be pasted in above the highlighted row You can now make any other changes to the new rows by directly entering those changes into each cell 3 Fill information into any column in the table using the FILL button below the table The FILL function is a convenient way to transfer information from a chromatogram loaded in the Graph window to the table directly without any typed or transposed entries o
303. l widths the Calibration Point Table is an extremely versatile way to display data regarding standard chromatograms The table is also fully interactive with the Plot window below to assist in reviewing the nature of this data Of course the Calibration Point Table window can be moved or resized as desired at any time gt To view the Calibration Point Table and Plot for any peak in the Reference Table move the Reference Table highlight to the desired peak s row by clicking anywhere in that row or by using the scroll arrows The Point Table and Plot will immediately change to show the current data for the new peak the top bars of both these windows will Show sid name assigned to the E Calib l bration Table caltest cal Peak One aus eater oe Utilities E p HPLCI a Timebase BBEET 3 TB2 Timebase TB2 Edit Figure 10 6 Calibration Table Each time a new standard is run and its responses applied to a component peak at any defined level a new line is added to the Calibration Point Table describing that standard Each line includes information on the Level Concentration Area Response Height Response Response Factor and Chromatogram filename for that standard as well as dilution or weighting factors see Section 5 2 5 4 for a complete list of configurable column items for the Calibration Point Table Lines describing standard runs are listed in the order which corresponds to the position of colu
304. late selector box which specifies the calibration report file template if any and filename if a report file is to be saved Click inside any of the standard data entry fields and type in the appropriate values if any or change the default values which appear If internal standard s is called for in the current Peak Table no entries need to be made in the IS fields provided the Calibration Reference Table Section 10 1 includes appropriate values for the internal standard peak s If entries are made here in the IS fields they will override any values found in the Reference Calibration Peak Table Select the standard level assigned to the current standard for manual calibration The concentration of this standard for all component peaks should agree with that listed in the current Calibration Peak Reference Table for the selected level Click on the radio button corresponding to the type of calibration New Level Replace or Average to be performed only one option can be marked See Section 10 3 below for a complete explanation of calibration functions including the use of correction factors and internal standards Click on the right arrow button in the TEMPLATE field to see a listing of all the available report templates You may select an appropriate report containing calibration information for printout or display Of course calibration data can be included in any Data Ally report if desired simply by editing that report s template f
305. le to view the Configure Peak Table Columns dialog Figure 5 58 HPLC1 lt lt Configure gt gt File EN Graph c pyramid alis60 pdf 2 Q lt 2 c Configure Peak Table Columns Graph Selections RT Retention Time t Method Peak Name Peak Name Window Window Integ Sequence Calib i n ui Utilities HPLC Timebase HPLC1 Edit Lell TE cE BT ru Pins fei Integ Screen Figure 5 58 Configure Peak Table Columns Dialog The list box in the dialog shows the complete set of column elements available for this table click to highlight all the desired items and to un highlight defeat the unneeded items When all the required items are highlighted click OK or click CANCEL to restore the previous selection The table will immediately be redrawn showing only the columns selected You can now use the resize and drag and drop reordering tools to reformat the column buttons as you wish in the same manner as for the Method Events Table Now use the Button Edit Pop up to reset the text labels text colors or button colors for any or all column buttons in the same manner as for the Events Table described above If you wish to color or rename the spreadsheet command buttons COPY CUT PASTE INSERT DELETE FILL HOLD CLEAR or INTEGRATION buttons beneath the Peak Table use the Button Edit Pop up to do so by placing the pointer on the button and clicking the RIGHT mouse button to access the editing pop
306. lect Increment Current Cell End of Table and Allow Overwrites enter the increment value in the Increment field and enter a No of Steps value corresponding to the number of existing rows to be filled with duplicates All other fields and options should be blank off If the number of steps exceeds the number of blank rows in the column the Allow Insertions box must be checked to add sufficient rows to meet the No of Steps criteria 10 2 2 The Calibration Point Table The Calibration Point Table like the Method Events and Peak Tables is a spreadsheet with columns and rows Figure 10 7 It is intended as a simple means of displaying all the desired information about each standard calibration run which is currently accumulated in the Calibration file The columns listed in the Table are configurable so that only the types of information needed can be included in the Table in the order desired When you view the calibration screen you are seeing the Point Table and Plot corresponding to the currently selected peak in the Peak Reference table highlighting a different peak in the reference table will cause that peak s Calibration Point Table and Plot to be displayed instantly The name of the currently selected peak will always appear on the top bars of both the Calibration Point Table and Plot windows Because you can select which columns types of information will appear in this table and change the column order and individua
307. left RT PeakName Cal and IS gt To save the new Calibration file when you have specified one or more LEV values for each row in the Reference Table use the Files SaveAs command to assign it a new name This Calibration is now available for use in performing manual or automated calibrations and for generating quantitative results S To perform a manual calibration using a standard chromatogram load the standard chromatogram file into the foreground top left register of the Graph window and integrate it as desired if this has not already been done Once all the peaks are marked correctly and desired baselines are drawn click on the Edit command in the Graph command bar menu and click on Calibrate in the submenu to see the Calibrate dialog Depending upon the type of standardization desired you may need to enter internal standard values or other correction factors in the appropriate fields in this dialog before proceeding When such entries are finished select the New mode to begin building a new calibration table and enter the LEV number for the current standard chromatogram You can begin with any level and enter calibrations in any level order Click on OK to enter the new calibration data into the calibration table of your new Calibration file You can verify that the calibration has been accepted by clicking on the Calibrate SoftButton to see the Calibration screen again The Calibration Table at bottom which previously had no lin
308. like until the limit of resolution is reached To unzoom click the right mouse button to see the previous view Repeated clicking of the right button will always return to the original autoscaled plot Note that when a peak is first selected via the Reference Table one point in the Plot window is always highlighted surrounded with a small circle which corresponds to the top calibration run row highlighted in the Calibration Point Table Double clicking the left mouse button on a different point in the plot will cause the highlight in the Table to move instantly to the run represented by that point By 189 Data Ally Chromatography Manager Operators Manual the same token clicking the edit cell anywhere in any row of the Calibration Point Table will cause the circle highlight in the Plot to move to the point represented by that row s standard injection Thus the Plot and Point Table windows are completely interactive If any rows are present in the Calibration Point Table and or any points are present in the Plot for any peak that peak has been calibrated and a result can be computed since a response factor is present for the peak in memory An unlimited number of additional calibrations lines and points can be added for any given peak s In typical operating mode Data Ally will continue to capture cumulative calibration data into an open Calibration file until the user decides to either clear and restart a new calibration in that file
309. lint peaks table RT Int lint peaks table suit Code Int lint peaks table Window Int For Tables Column heading or field label text for integration file tables int lview int peaks enable Row ShortTitle Int lview int peaks table cal Mode ShortTitle Int lview int peaks table Comment ShortTitle Int lview int peaks table is Number ShortTitle Int lview int peaks table Name ShortTitle Int lview int peaks table rel Code ShortTitle lview int peaks table RT ShortTitle Int lview init peaks table suit Code ShortTitle lview int peaks table Window ShortTitle Int 14 4 4 Method DDE Names For Report Heading DDE names referring to fields stored in Method files met 238 Data Ally Chromatography Manager Operators Manual Proprietary DDE Field Imet cal Code 1 Imet cal Filename 1 Imet cal Level 1 Imet cal rpt Enable 1 Imet cal rpt Template 1 Imet correction Dilution Imet correction InjectionVolume Imet correction Weight Imet events Rows Imet int Filename 1 Imet is Conc 1 Imet pdf Filename lt 1 1 gt Imet pdf rpt Chromatogram lt 1 1 gt Y N gt Imet pdf rpt Enable lt 1 1 gt lt Y N gt Imet pdf rpt Filename lt 1 1 gt Imet pdf rpt Print lt 1 1 gt lt Y N gt Imet pdf rpt Show lt 1 1 gt lt Y N gt Imet pdf rpt Template lt 1 1 gt Imet run Duration Imet sample Description Imet sample Name Imet sample Number Imet signal Enable 1 Imet signal Resolution 1 Range to 2 signals
310. ll software updates 3 3 0 STARTING DATA ALLY 19 Data Ally Chromatography Manager User s Manual Depending upon how you installed Data Ally you can start Data Ally in any of the following ways Turn the PC power off and then on again start Data Ally automatically the Data Ally the Log On screen If you have installed AUTOEXEC BAT and WIN INI files to software will be initialized After a short delay you will see If the PC is powered on and you see the DOS prompt C either Start Windows in the normal manner Click on the Data Ally Icon After a short delay you will see the Log On screen Log on to the system When the Data Ally Graph screen appears the system is ready to use Next configure the system to your exact requirements Section 6 create programs immediately using the factory supplied configurations or run Methods A set of default files for each program type are provided in the software with the names DEFAULT MET DEFAULT INT DEFAULT CAL and DEFAULT SEQ and are ready to be modified or run as desired Note To using the take full advantage of Data instructions in Section 5 Ally and your system you can custom configure the software 3 4 0 INSTALLING DATA ALLY SOFTWARE UPGRADES Periodically upgraded versions of Data Ally software will be improved performance and features When re installing an upgrade for Data Ally you should first ensure that all existing Method Integration Calibration S
311. llows an Integrate Off code Can be used to modify start end positions for peaks and to ignore solvent fronts column switch points where baseline shifts etc The Data Ally file storage system saves all baseline codes resulting from each integration operation along with the raw data set for every chromatogram enabling the results of the last integration performed to be immediately accessible each time a given chromatogram is recalled or reprocessed If a previously integrated chromatogram is integrated again the new set of baseline codes from the last integration overwrites the old codes when the data file is resaved 9 1 3 System Suitability 9 1 3 1 System Suitability Calculations System Suitability calculations are displayed for each individual peak selected in the Peak Table The peak itself is displayed with the baseline used and the relevant calculation lines Calculations where appropriate are calculated according to the USP or EP specifications The basic System Suitability calculations performed are Name The Peak Name from the Peak Table Retention Time The actual Retention Time at peak top RTretainedpeak RTunretainedpeak Capacity Factor RTunretainedpeak Area The actual area of the peak Height The actual height of the peak PW at 5096 The actual width of the peak at half height min PW at 1096 The actual width of the peak at 1096 height min PW at 5 The actual width of the peak at 5 height min 163 Data A
312. lly Chromatography Manager Operators Manual PW at Base The calculated width of the peak at base using tangent method min RTpeakend RT CFR Asymmetry Factor idis at10946 peakheight RT RTpeakbegin RT RT j Tailing Symmetry 2 T P ee at596 peakheight RTpeakbegin 16 RT Plates USP 3 atbase RTpeakend RTpeakbegin SA RT EP zea x at50 height RTpeakend RTpeakbegin USPPlates EPPlates Plates meter USP EP ColumnLenght ColumnLenght Resolution USP 2 RTPeak1 RTPeak2 ditliase B RTPeak lend RTpeak begin RTpeak 2end RTpeak 2begin UN e 1 18 RTPeakl RTPeak2 at50 RTPeak lend RTpeak begin RTpeak 2end RTpeak 2begin HETP mm USP ColumnLength EP EPPlates USPPlates ColumnLength Note USP calculations use Tangent Method EP Calculations use Half Width Method 9 1 3 2 System Suitability Column Parameters The Column Parameters options permit input of additional information used in some of the System Suitability calculations Specific Unretained Peak information may also be input in this dialog The Column Parameters are Column Length The actual length of the column in millimeters Particle Diameter The size of the packing material in microns This figure may not be used in the main report but may be accessed for special calculations Flow Rate The actual flow rate of the solvent through the column
313. lly system utilizes and creates DOS compatible files The following file types can be produced and edited within the data system e Chromatogram Raw Data Files PDF These files contain the set of detector input signal versus time information corresponding to a chromatogram run one chromatogram per file Each raw data file also contains header information regarding the date time and operator for the file the time base and programs with which the file was created all the current integration data and in some cases calibration information Raw data files can be loaded into any Data Ally time base and processed at any time Raw data files can also be as long as necessary The only limitation to file length and complexity is the available disk space when a file is originally saved e Program Files Method MET Integration INT and Sequence SEQ These files contain all the information describing each program type Program files can be of variable size depending on the length of the Table portion of each file type e Calibration Files CAL These files contain all the calibration data associated with a specific set of standards referencing a particular Integration program file and its Peak Table Calibration files can be of variable length depending upon the number of standards processed e Report Template Files XLS These files are produced with Microsoft Excel in Data Ally v 1 00 and contain a set of instructions f
314. loaded in the current active Graph window These functions are executed manually using the Math command they can also be performed automatically as part of a Method if the Auto Math options are utilized Math functions submenu commands will be grayed out and unavailable unless more than one chromatogram file is loaded into the current Graph screen Most Math functions are based upon and or affect only the first two chromatograms in the stack These chromatograms can be identified as those whose filename icon buttons appear at the top left in the area beneath the horizontal graph axis You can rearrange the order of chromatograms in the stack by dragging the filename icons into the desired positions or by using the Display Swap command prior to executing any Math commands HPLC1 lt lt Ready gt gt File Edit MZEIUM Display View Print Add Cgl Cg2 Graph c pyramid pdf 987 571 pdf Hep Subtract Cgl Cg2 mm Ratio Cg1 Cg2 Method Integ Sequence Calib Figure 7 26 Math Functions Menu 7 4 1 Adding Subtracting Ratioing Chromatograms The three math operation functions use the first two chromatograms in the register stack You must position the correct chromatograms in those registers via the filename icon buttons or using the Display Swap function before executing these commands e Add Adds the first two chromatograms in the stack foreground plus next file and places the result into the first open register in the stack
315. log Detector Input This procedure is used repeatedly to install any number of additional items to the existing components configuration for this time base You can quickly review all the available items 40 Data Ally Chromatography Manager Operators Manual component types and drivers available by clicking the BROWSE button which will show a listing of all such items as you page through the list You can proceed to assign a third or even fourth analog detector via the same method using the Additional Inputs function in the Detector Setup dialog to borrow analog inputs from different Processor Modules If digital detector inputs are to be used they will be programmed in conjunction with a serial or other dedicated interface which is specified by selecting a detector driver using the Add Components function See Section 5 2 4 below for a complete explanation 5 2 3 Configuring Relay Flags When all the desired analog inputs have been defined the next configuration step is setting and enabling any relay or contact closure flags which will be used in the Communications Processor assigned to the current time base The electronic relay flag contacts although always provided in each Processor must be configured in order to be functional and programmable while running the system Click on the ADD button in the Components Setup dialog menu Figure 5 9 to see the Add Components dialog Figure 5 8 again Now click on Flags to highlight i
316. losely placed for individual point selections you can expand the Plot window to any desired size by clicking the expansion arrows for its sides or corners and dragging its borders to the new position You can also rubber band zoom inside the Plot window to see an expanded view It is suggested that you leave the first two lines of the Table showing on the display at the bottom so that you can see the information on each peak When you double click on a single point inside the Plot window the Table will automatically scroll backward or forward so that the descriptive line corresponding to that point will appear highlighted on the top line of the table Figure 10 10 In this manner you can check the detailed characteristics of any points in the Plot quickly and easily HPLC1 lt lt Ready gt gt File E Calibration Cuve l LINEAR fo Na Graph Method Integ Calib Calibration Table caltest cal Peak Four Conc o Int File Utilities 10 0 am int HPLC1 2 2 80 0 c pyram int Timebase S 3 am int HPLC1 4 2 c pyram int j int Figure 10 10 Automatic Indexing of Calibration Table After Plot Point Selection S To select a row standard in the Table use the pointer and table scroll bars to move to any row in the table corresponding to the standard chromatogram whose corresponding point you would like to locate on the plot Click anywhere on that row and the point representing that lin
317. losure from another device gt To edit the FIN field click the left mouse button with the pointer cursor inside any cell in the FIN column and type in the desired name and or flag code As for FOUT the FIN column can be modified using AutoFill editing see below Each flag entry assumes the polarity defined for it during Configuration High or Low Closed or Open contact If polarity is high a flag will cause the system to hold execution if the contact being read is open and the flag will execute and unhold when the contact closes Note that the time each flag is executed is adjusted automatically 147 Data Ally Chromatography Manager Operators Manual In the most typical case you can program the Events Table to use input flag S Remote Start to start the Method from an external contact closure by entering S into the FIN column at TIME 1 sec or greater in a Method Sensing the contact closure will produce the same result as clicking on the RUN SoftButton A hold to inject flag should not be entered at TIME 0 e ZONE Configurable This permits entry of integration zone codes such as ON OFF to be executed directly from the timed events table gt To edit the ZONE field click the left mouse button with the pointer cursor inside any cell in the ZONE column and type in the desired zone code e COMMENT Configurable This permits entry of row specific comments as part of the Events Table It is often useful to include rema
318. lows you to switch the Data Ally software to match the analytical components and functions as needed at any time 12 1 2 Translate Functions The Translate command can convert files saved using Axxiom Chromatography 700 Series data systems to Data Ally compatible formats or can convert Data Ally generated data files to ASCII and other output formats for use with other software or devices Click Translate in the Files submenu to see the Translate submenu Figure 12 4 NOTE Your version of Data Ally may contain other translator utilities that have been added since the user manual was published Contact your distributor for translator information HPLC1 lt lt Ready gt gt git Configure Quit Load Configuration Utilities pyramid cfg read only Translate Axxiom 700 to Pyramid Graph Export Pyramid to Method Integ Figure 12 4 Translate Submenu Commands gt To convert Axxiom 700 Series chromatogram data files to Data Ally data file pdf format click Axxiom 700 to Data Ally to see the 700 Series conversion dialog Figure 12 5 219 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt Configure Quit Axxiom Pyramid File Translation Utility to Pyramid format File to Convert 700 path c pyramid PYRAMID PDF Files alis60_pdf amp pyramid anticon5 C3 catechol Imws orgacids pdf C3 program C3 pyrtemp reports
319. lready assigned to any file in the current directory path at the time the RUN command is given an error message will appear advising you to change the filename s or path before a run can be initiated If you click on RUN while viewing the Sequence screen the time base will attempt to run the default Sequence if any exists S To see the incoming signal data traces click on the GRAPH SoftButton if you are not already viewing the Graph screen The trace s for each live detector will be visible on the display scaled as predefined in the default instructions Alternatively you can click on the Graph button at the bottom right corner of the Sequence screen to replace the top level portion of the Sequence screen with a half screen Graph window while the Sequence Table remains visible at bottom 93 Data Ally Chromatography Manager Operators Manual S To reset the Display scaling in the Graph click on Display in the Graph Command Menu bar and then on Scaling in the submenu Turn AutoScaling on or off by checking the appropriate check boxes in the scaling dialog box or click inside the MIN or MAX entry fields for any live detector s with AutoScaling off and type in the range value you wish to display Click on OK to change the display S To view the Method which is being run the default Method unless you have modified it or loaded a new Method click on the METHOD SoftButton The top level Method screen will appear If you wish to determine
320. lways appear in the Graph window for every appropriate peak The normal default is peak names shown e Show Peak Numbers This shows peak numbers provided they are assigned in the Peak Table The normal default is for peak numbers shown e Show Retention Times This causes absolute retention times to be shown or omitted on the Graph display if an integration has occurred to assign them 7 6 2 Screen Display Characteristics Settings Several of the Display submenu commands change the overall appearance of chromatograms and other types of plots their order and hierarchy and their relative positions Colors The Colors command changes all colors assigned to the basic Data Ally Graph screen displays and functions This includes colors for chromatogram traces hardware function traces pump or temperature profiles graph axes annotations chromatogram names buttons baseline and zone codes etc HPLC1 lt lt Ready gt gt dit Math Display View Print T DISPLAY COLORS Ni Trace Colors top EX ved eco E Grid Colors Fill Colors 22 636 18 Axis Above CG Below CG Background CG Above Baseline Attribute Colors Baseline Zone Codes ei Peak Info mmu Figure 7 33 Display Colors Dialog S To modify Graph screen colors click on Colors to see the Colors dialog box Figure 7 33 The box includes sample color fields for all the components of the screen To change any
321. m Actual Concentration Corrected concentration Dilution Weight Injection Volume If the Q curve fit option is used in the Calibration Reference Table the concentration intercept KC will usually not equal 1 The QO fit option can be employed to force a quadratic curve fit to go through the origin so that KC 0 For the Q or QO fit options the Calibration Plot window will always draw the theoretical best fit response curve plotted from the concentration intercept value through the maximum standard concentration basis found in the current Calibration Point Table 10 3 1 4 Multiple Level Calibration Interpolation To use the Interpolated curve fitting option select the I code in the Reference Table FIT column for any peak s Interpolated fitting computes linear curve fit segments between each corrected concentration level found in the current Calibration Point Table with all replicates at any single level cumulatively averaged to find the response for that level Within each segment the same linear regression curve fitting procedure is applied as described above in Section 10 3 1 1 to determine a slope KB and intercept KC specific for that segment The curve fit for each segment is used only to compute results for unknowns whose response basis falls within that particular segment As many different segments are calculated as needed to represent the entire response curve in the Calibration Point Table Although a maximum of 16 nom
322. m Center from the command menu bar Section 7 5 2 below If Zoom Center is enabled a new mode is available in which double clicking the left mouse button anywhere in the Graph window will cause the display to zoom by fixed multiplier factors in both the time and signal axes centered around the current cursor position at the time of the click The magnification factors Data Ally Chromatography Manager Operators Manual for center zoom can be reset at any time Zoom Center is most convenient for repeated magnification of the display around a fixed point Like the normal rubber band zoom which can also be used while Zoom Center is enabled you can reverse repeated zoom center actions by clicking the right mouse button e Stack Position Data Ally allows up to sixteen chromatogram files to be loaded into any Graph window As each new file is loaded it is placed in a stack of current chromatogram files Figure 7 5 The first file in the stack is termed the foreground file Only the foreground file position in the stack can be used for baseline editing or for display of baseline or other integration codes and annotations to prevent confusion Any loaded file can be selected for editing or displaying other attributes such as baseline codes or peak names but the desired file must be moved to the foreground position in the stack for this to be possible HPLC1 lt lt Ready gt gt BA File Edit Math Display View Print Graph c p
323. m Info rChromatogram Info Sample Info um I F File Name Name l Description Version l Number Integ Fun Info F Description I Description Date and Time 3 File Names Sequence L Method File I Injection wm Print Info Integration File _T Date and Time Sequence File Utilities HPLC1 BE E fe Ee BE BE BE EE BE BEBE BE BE BE BEBE BE EBE BE Timebase Figure 5 36 Printout Info Default Dialog This dialog specifies information specific to the foreground chromatogram which will be included in chromatogram graphic printouts in the current time base when the default Method is loaded Note that unlike the printer setup dialog the contents of this configuration dialog can be completely independent for each time base Check all the checkboxes corresponding to the printout information to be included as default Click OK when finished Note that the printout information can be modified prior to any printing activity while running Data Ally no matter how the defaults are set it is recommended that you specify only those information elements as default which you will always want to include Now click Graph Print on the top bar menu and click Report in the submenu to see the Chromatogram Report Default dialog Figure 5 37 E HPLC1 lt lt Configure gt gt File Edit Math Display View Print Help Graph c pyramid alis60 pq Report Report Template e Save s Filename Print
324. marked point or code by depressing the left mouse button and dragging it to the desired location This cursor is also used for graphic moving or offsetting of chromatograms in the Graph window Baseline Code Vert Cursor The graphical baseline editing function is active You can move the enabled code marker anywhere in the graph window and click the left mouse button to set it Hand Symbol The baseline or zone codes move function is enabled in the graph window Click on the left mouse button to grab the code beneath the cursor symbol and hold the button down while you drag it to the desired position The hand symbol cursor is also used to drag chromatogram filename icons in the register stack and to move other objects such as annotations or peak names in the Graph window Bull s Eye Symbol The baseline or zone code clear function is enabled in the graph window Position the circular bull s eye over the code to be cleared and click the left mouse button to clear it Zone Code Box Arrow You are in zone code placement mode in the graph window Move the box containing the zone code symbol so that the arrow indicates its desired placement and then click the left mouse button to place it Data Ally Chromatography Manager Operators Manual 1 Double Vertical Arrow Offset Cursor Graphical chromatogram offset has been activated Moving the cursor up or down in the graph window will pull the selected chromatogram trace to a new posi
325. matogram an information box will appear when Subtract is initiated advising that at least one file must be cleared from a register before subtraction is possible Ratio Ratio computes the ratio of the signals of the first two chromatograms the foreground chromatogram being divided by the second register file The result or ratio file is placed into the first open stack register It can then be saved using any desired filename S To ratio two chromatograms load the desired files into the first two registers and click on Math Ratio The ratio will be computed and will be shown in the first open register with the name Ratio If there are no open stack positions to display the ratio file an information box will appear when you select the Ratio command advising that at least one currently loaded file must be cleared to open a register before ratioing is possible 7 5 0 View Commands The View submenu accesses two special Zoom functions A Zoom Box can be placed in the Graph window as an indicator of the segment of the current chromatogram included in the current view This feature is convenient when reviewing details within a chromatogram at high magnification A special Zoom Center function is also provided which changes the standard rubber band zoom mode to a center zoom mode which expands the display centered on the cursor position by fixed magnification factors set in Configuration HPLC1 lt lt Ready gt gt it Math Display Ruts
326. me base including the application type the desired name for labeling the window the identity of the Communications Processor connected to this time base serial and instrument numbers assigned and any desired text description of the time base itself 37 Data Ally Chromatography Manager Operators Manual Entering System Descriptors Click inside the System Name entry field and enter the desired name for labeling the time base up to twelve characters long this name will be shown in the top bar of the time base window This name will be used to label both this live time base and its companion edit time base Click inside the System S N field and enter a specific serial or instrument number if desired this information will be permanently stored in Data Ally as part of this Configuration and can be recalled any time for reporting or labeling purposes To enter an additional text description of the current time base for documentation purposes click the DESC button and type the description into the entry field provided Figure 5 5 Click OK when the entry is completed the text can be as long as desired or on CANCEL to escape without changing the current entry Note that you can also import text or graphics from another file into the Description box to save it on Data Ally with the current time base information simply by copying the text into Windows Clipboard and then Pasting it into the Description entry box TB1 Configure
327. mmand menu bar to view the File Default submenu Figure 5 68 TB1 lt lt Ready gt gt File Assign Sequence Sequence default seq Sequence Description Clear Sequence Name default seq Position Reports Def sun Ix Print Print Sequence T piu Def End Ix Show Integ Sequence Sequence Table default seq UV Vis UV Vis UV Vis Calib ld sinis Method Cg File Int File Cal File Utilities Figure 5 68 Sequence File Default Submenu Click Sequence Description to view the Description dialog box Figure 5 69 Type the text description into the entry box in the Description dialog and click OK when finished 83 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File Lal Help Set Description Graph Method integ Press Ctrl Enter to start a new line Sequence Sequence Table default seq Em Method UV Vis UV Vis UV Vis UV Calib Ds em Cg File Int File Cal File Cal Hist Figure 5 69 Sequence Default File Description Dialog To assign an existing Sequence file as the default file click File in the top command menu bar and click Assign File The selector dialog will appear Figure 5 70 choose a Sequence file from disk or other device and click OK The indicated Sequence file will be loaded into the default register and will be used to reset the default configuration HPLC1 lt lt Configure gt gt File et Sequence
328. mns in the table Entries are sorted based first on the contents of the leftmost column in each row in ascending order then on the contents of the second column third column etc Like all other Data Ally tables the Calibration Point Table features a dual function line numbering ENABLE column at far left which is always visible regardless of the current view of the table 187 Data Ally Chromatography Manager Operators Manual selected Each time a new line is added to the table it automatically receives the next available line number Normally all new lines have the ENABLE column highlighted the data in each line being enabled and used to compute the calibration response or curve fit Double clicking on the ENABLE column cell for any row in the table causes the highlight to disappear and that row to become disabled thus removing it from the computation and effectively failing that standard from the calibration of that peak This is an extremely convenient tool for testing the effect of removing outlier runs from certain calibrations You can use the scroll bars at the bottom and right of the table to move through all of the rows and columns as well as the lt PgUp gt lt PgDn gt keys to move up and down a fixed number of rows the CTRL Home and CTRL End commands to move to the leftmost and rightmost columns the TAB or ENTER keys to move one cell to the right and the CTRL PgUp and CTRL PgDn commands to move to the first
329. mode click the RUN button while the Sequence screen is displayed IF THE SEQUENCE SCREEN IS NOT VIEWED A SINGLE METHOD WILL BE RUN Only one mode can be selected at any one time and only those modes which are supported by the current Configuration will be available the mode cannot be changed after a Sequence has been started If the current channel is to be used for data acquisition only only the Acquire mode should be allowed in Configuration For an Edit Only channel only the Reprocess modes are available Select the desired mode by clicking on its button to enable it before using RUN to start gt To stop a running Sequence click the STOP SoftButton in any Data Ally display screen Both the currently executing Method and the Sequence will be halted The top level Sequence also contains fields for START and END rows in the Sequence Table These operate interactively with the ENABLE column see below to define which lines in a preprogrammed Sequence table will actually be executed each time a Sequence is run gt To limit Sequence processing to any consecutive series of rows in a programmed Sequence Table click inside the START entry box and type the number of the first row to be processed then 205 Data Ally Chromatography Manager Operators Manual click inside the END box and type the number of the last row to be processed Only those rows inclusive of the START and END row number will actually be executed in the Sequence You
330. multaneously to move the Edit cell highlight to the first leftmost cell in the current row Press the CTRL and END keys simultaneously to move the Edit cell highlight to the last rightmost cell in the current row Press the PgUp key to move the Edit cell highlight upward in the current column by the number of rows shown in the current table window Press the PgDn key to move the Edit cell highlight downward in the current column by the number of rows shown in the current table window Press the CTRL and PgUp keys simultaneously to move the Edit cell highlight upward to the first top row in the current column Press the CTRL and PgDn keys simultaneously to move the Edit cell highlight downward to the last bottom row in the current column In addition to moving the Edit highlight from cell to cell there are also a number of ways to move the vertical bar editing point to various positions inside the current entry in the Edit cell after clicking inside the Edit cell to position the vertical bar cursor Besides simply pointing to a certain position in 32 Data Ally Chromatography Manager Operators Manual the entry inside the current Edit cell and clicking the left mouse button to fix the vertical bar at that position you can use the following keys S HOME END Press the right arrow key to move the vertical editing point one character to the right inside the Edit cell Press the left arrow key to move the
331. n For example if weight factors are used for all standards and unknowns the standard curve in the plot window will actually be a graph of area height versus a corrected concentration which equals the given concentration for each standard level in the Reference Table multiplied by its given Weight factor 10 3 0 Theory of Calibration Data Ally calibrations are performed using standard models for computing response factors and multiple level curve fits with or without internal standards and the use of other correction factors to account for sample dilutions injected volumes and measured weights There are two basic modes of calibration available In External Standard mode standards consisting of varying known amounts of mixtures of the peak components to be measured in all unknowns are injected and response factors or curves generated from the known responses of the standards In Internal Standard mode each peak to be quantitated is assigned one Internal Standard peak as a reference and the responses computed via external standards are corrected on a peak by peak basis to account for differences in recovery of the Internal Standard peak s from run to run Any individual peak in a Peak Table and any Calibration Reference Table using that Peak Table can be calibrated in External ES or Internal IS Standard mode provided suitable Internal Standard peaks are incorporated in each run and identified as references in the Peak Table s IS column
332. n Sample Information button dialog box If a Method is designated in a Sequence Table which has Sample Information associated with it those values will be automatically used for processing or reporting as long as the corresponding cells in the Sequence Table remain blank for all lines rows employing that Method ANY AND ALL SAMPLE SPECIFIC ENTRIES MADE IN THE SEQUENCE TABLE WILL ALWAYS OVERRIDE ANY CORRESPONDING ENTRIES MADE IN ANY METHOD FILES 11 3 3 Fill Functions Information can be entered into the Sequence Table by using the automatic FILL functions associated with certain columns in the Table The FILL button beneath the Table can be used in a similar manner to that in the Method Events or Integration Peak Tables to fill series of new values into blank column cells The AutoFill dialog box Figure 11 2 used to set all filling functions is of the same format and works in exactly the same manner as that for the other Data Ally tables see Section 8 3 for a detailed explanation of its features and terminology The Duplicate filling mode is useable for the INJS METH CAL CODE CAL LEVEL ISAMT WT DIL SAMPLE NAME SAMPLE DESC SAMPLE NO and COMMENT columns as well as all configured filename and report specification fields The Increment filling mode is operable for the INJS CAL LEVEL ISAMT WT DIL and SAMPLE NO columns In Data Ally Sequence programming incrementing filling is normally used to begin by setting up a se
333. n at the time Data Ally is initialized You can change any aspects of the default file within the active software except for the features and options which are either fixed or temoved in the Configuration but you can only save such changes to the default file in Configuration Mode Section 5 2 5 4 If you wish it is possible to run a series of standard chromatograms use them to update any calibration file you create and then use that file to assign parameters to the default Calibration file in Configuration mode The Files commands in the Calibration Command Menu bar are used to load save clear and delete Calibration files and can also provide a calibration version historical record 10 5 1 Loading Calibration Files S To load a saved Calibration file from disk memory into the current channel click the left mouse button on Files in the Command menu bar and then click on Load A directory dialog box will appear Figure 10 12 which lists the Calibration files CAL available in the current directory path for this channel Select the desired file by clicking on its name in the directory list or by typing its name into the entry box Click on OK to load the new file 200 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt ile F m Curve 4l Reference Tahle cattes E LOAD CALIBRATION FILE Graph File Name Directories c Mpyramid Method lan es ma pyramid G anticon5
334. n either the OK or CANCEL button will close the dialog box The OK button in any dialog box is used to close that box and accept all the current settings in the box at the time OK is clicked Pressing ENTER on the keyboard when viewing a dialog box has the same effect as clicking on the OK button 24 Data Ally Chromatography Manager Operators Manual The CANCEL button discards any options you have selected in the dialog box and closes the box without changing anything in the system controlled by that dialog box CANCEL differs from Close in that Close will close a dialog box without canceling any of the changes made in that box before it is closed Instead of pressing the CANCEL button you can use the lt ESC gt key If the Control Menu Box exists you can click on the Control Menu box and press either lt ESC gt or ENTER to close the dialog box 4 2 0 Data Ally Windows Like other Windows applications Data Ally displays information inside various windows on the screen Each window is surrounded by a double line box Data Ally organizes its windows into two classes e Time base windows are present for each system with only one time base window normally drawn on the full screen at any time Separate and totally independent windows are provided for each defined system for both active data collection and file editing as well as for individual systems You can switch between different time base windows by using the ap
335. n or printed report and as part of any saved report files Note that UNITS values need not be entered in each row in the UNITS column any entered value will also apply to blank rows in the UNITS column below that value until the next value in a subsequent row is encountered For example if all peaks will be reported with the same units designator that designator needs to be entered only once in the UNITS column in its top row corresponding to the first peak 183 Data Ally Chromatography Manager Operators Manual gt To set quantitative reporting units for any peak click inside the peak s UNITS column cell and type in the desired units Note that there is no right button selector available for units entry since any alphanumeric units designator can be used You can also use AutoFill to Duplicate or Clear entries in the UNITS column by clicking on the UNITS column header button and setting the fill mode and range There is no UNITS default in the Peak Reference Table if no entries are made for any peak no units designator will be printed along with any numerical results The presence or absence of a units designator will not affect whether or not a peak is actually calibrated and quantitated 10 2 1 5 Entering Concentration Levels for Each Peak At the right side of the Reference Peak Table one or more LEV columns are provided depending upon the entry made for No of Standard Levels in Setup At least one LEV column must always be pre
336. n which the Edit cell highlight appears After cutting the contents of this row will be placed in a special buffer in the Data Ally software similar to the Windows Clipboard but not actually using Clipboard and can thereafter be PASTEd into any other row in the table The CUT buffer can only hold one row s contents at a time so CUTting a second row will cause the information from the first CUT row to be lost CUT is used to either delete a row entirely or to remove it CUT and PASTE it into the same table in a different position Click the left mouse button on COPY to copy the contents of the current row in the table in which the Edit cell highlight appears into the table buffer The current row is unaffected by a COPY command COPY is used to insert a copy of 33 PASTE Data Ally Chromatography Manager Operators Manual any existing row s cell contents into another blank row via a PASTE command Click the left mouse button on PASTE after using CUT or COPY to transfer a row s contents into the table buffer Before using PASTE you must select a new blank row by either moving the Edit cell highlight to the target blank row or by using INSERT to insert a new blank row and then moving the Edit cell into that blank row PASTE causes the contents of the table buffer to be placed into the row currently containing the Edit cell highlight Note that the spreadsheet editing command buttons operate on only one row at a time 34
337. n width is indicated by the position of the cursor release the mouse button and the column will be resized and the entire table redrawn accordingly This feature permits you to match the exact sizing of each column to the expected character width of the entries expected in that column you can also effectively remove certain columns without actually eliminating them from the table by reducing their widths to a very small size S To directly enter a value into any cell in the table simply click inside that cell so that it becomes highlighted and the vertical entry bar cursor appears Then type in the desired information If you wish to delete the entire previous entry double click the left mouse button with the entry bar inside the desired cell so that the entire entry becomes highlighted typing the first character of the new entry will cause the old entry to be completely deleted Available parameters in the Table are e TIME Non Configurable This specifies the time for each event or action in each row to occur Every active row in the table must have a TIME value specified TIME is entered as a value of minutes or seconds a numerical value followed by a units designator code If no units code is given the units assigned to the previous entry are retained S To edit TIME click the left mouse button with the pointer cursor inside any cell in the TIME column and type in the desired entry and units code This column can also be edited us
338. nable check box is checked and click OK to enable the defaulted Status Box which will appear on the current Graph window as specified If you do not wish to have the Status Box enabled click the Enable checkbox to uncheck it The Status Box is the primary means of reporting real time information in Data Ally concerning the signals being captured and displayed and the progress of the running method You should enable the Status Box as default if you will normally use this function to track the operation of your methods Like all other display functions you can switch the Status Box on or off at any time during actual operation or move or resize it at will The Swap function in the Graph Display configuration submenu has the same purpose as in live operation to move the chromatogram file in the bottom display register to the top register This command is active during configuration for use in manipulating files but has no other setup or defaulting requirements See Section 7 6 4 below for a more complete explanation of the Swap command Configuring Default Graph View Functions Next configure the defaults for the View functions the Zoom Box and Zoom Center mode Click the Graph View command in the top menu bar to see the submenu Figure 5 31 HPLC1 lt lt Configure gt gt File Edit Math Display Uri B Zoom Box ramid alis60 pdf Help Zoom Center gt Graph Method Figure 5 31 Graph View Default Submenu To specify
339. nce seen all T Figure 8 4 Result Files Definition Fields S To set names for the chromatogram files captured from any active detector s click the left button inside the FILENAME box adjacent to the name of a detector and type in a path optional and filename up to five characters the last three characters of the eight character filename are used for automatic series numbering If the current path is to be used no path entry needs to be made These filenames will be assigned to raw chromatogram data files produced when this Method is run Every active detector input name must be provided with a valid filename here in order to start the 142 Data Ally Chromatography Manager Operators Manual Method Different files can be saved to different paths or disks if desired Note that the final three characters of each filename will ALWAYS be inserted automatically by Data Ally and will overwrite any characters entered in those positions in the file naming fields 2 To set reports to be automatically produced for each detector input at the end of this Method click the Reports button at the right of each detector s filename entry field The Report Set dialog Figure 8 5 will appear HPLC1 lt lt Ready gt gt Enable Template Filename pss Print Show l ka faeaptxs A Cf amp Fr 1 areapct xis x i Figure 8 5 Report Set Dialog Up to four different sets rows of report specifications are sh
340. nce table in the window at upper right will be immediately reconstructed to include the peak table from the selected Integration file and the number of Level columns you have specified Depending upon the configuration other columns FIT BASIS etc may also be found in this table For each peak to be calibrated in the Reference Table you must now specify the concentration value for the standard s to be injected and used to build a Calibration Table The current Calibration Table at the bottom of the screen will be empty since no standards have been run yet Click anywhere inside the upper right Reference Table to activate it and use the scroll bars to move to the LEVx columns to begin entering the standard concentration values for all peaks You may wish to maximize this table using the Maximize command for a better view while editing Move the Edit highlight into each cell in the LEVx column s corresponding to each peak and type in the assigned standard concentration values If the values are the same for a number of different peaks in a single LEV column you can use the FILL function to duplicate the value of a single row into any number of other rows in that column You can also use the CUT COPY and PASTE command buttons beneath the table to move and copy any set of information in the Reference Table for one peak to the row for another peak with these functions only the editable columns will be moved or copied not the fixed columns at
341. nd Programs sssssssssesseeseeerenneene eene trennen trennen enne nennen enne 91 Data Ally Chromatography Manager User s Manual 6 2 0 Files and File Manipulations eese nennen nennen trennen e iie SSS asserens 92 6 3 0 Entering the Data Ally Software sessi nenne nennen trente enne en een rennen enne 93 6 4 0 Using the Default System s r onn echec E 93 6 4 T Starung RUM eoe ond en ep bed ede i rto ees 93 6 4 2 Analyzing Run Data Manually sees nren trennen rennen enne tenene 94 6 4 3 Completing the Integration Peak Table seeeeeeeeseeeeeeeee eere rennen 94 6 4 4 Setting Up a Calibration File eite etre terii ttr e her E Teer E E EESE 95 6 4 5 Programming a Simple Seguentre e e nennen nennen en E tenen 97 6 5 0 Exiting the Data Ally System seseseeseseeeeeeeeeeeener enne nete tren Eki EVA Eora enne tese nennen nnne 98 7 0 Chromatogram Display Review and Editing Graph Screen sse 100 7 1 0 GRAPH Screen Commands 5 eee cer DER ERG Ie ORO SU RT ERES erhebt 101 7 1 1 Application and Program Control Menu Commands essere 101 7 1 2 Screen Based Commands eee pe te ber e FREE ER aUe ceaseeisensperse poauvacuscnenes 101 7 1 3 Graph Command Menu Bar ssssssesssseseeeeeee nennen ener teen teee tren trennen eren ens 104 7 2 0 Working With Chromatogram Files sesss
342. nd in each such window gt To set up and enable the status box if it is configured click on Status Box The Status Box dialog box will appear Figure 7 39 In the dialog box are a number of items with corresponding check boxes You can check each item you wish to appear in the status box When selecting items you should consider that more items will require a larger box which may obscure some of the active Graph window It is only possible to have a single status box open in any Graph program window regardless of how many panes you have opened within that window HPLC1 lt lt Ready gt gt File Edit Math Display View Print Configure Status Box Selections UV Vis Analog Input l t Elps Time Elapsed Time Rmng Time Remaining Time BCD Vial No BCD Vial Number or p Ji Sido be ats BOD 1 rer Figure 7 39 Display Status Dialog Be sure to check the top box for Enable Status Box and click on OK The Status Box will appear as you have defined it in the active window Figure 7 40 You can now move the box at will If the channel is running you click on RUN the status box will show a live readout of any parameters included indicating detector input conditions time Method program conditions such as pump flows gradients flags executing etc If the channel is idle no Method is running the status box time values will correspond to the current pointer position signal values will correspond to th
343. nd is normally reserved for use with injection markers for triggering the start of a Method However any of the four inputs available can be used for this or any other purpose If you have already wired one or more of the input relays to your installed instruments you will now simply specify which inputs are used for what purposes and give them appropriate names to help you when programming methods in this time base To assign a remote start function click on the Enable field for the S input to check mark it Now click inside the Name field on the same row and type a name such as Inject Start The name can be up to sixteen characters Note this name will appear when you select the pop up listing showing choices for input flag entries while programming method events Repeat the same procedure to enable disable or name any or all of the other input flags Once you have configured flags in this dialog the Input Flags column will be available for construction of the Method Events Table below When you are finished specifying all input flags click on OK or CANCEL to avoid changing the previous entries The Components Setup dialog will be redisplayed You can repeat the same procedure to enable and define any of all of the eight available output relay flags on each Processor Module Use the ADD button to select Output flags and then use SETUP in the Components Setup dialog to specify and name each desired flag 5 2 4 Deleting Componen
344. nding to the difference between the value of the cell immediately preceding that range and the value of the next row having a non blank entry following the range divided by the number of intervening rows click FILL to see the AutoFill dialog select Increment Start of Table End of Table and Allow Progressions Leave all other selections blank off S To overwrite existing values along with any blank rows with incremented values in an entire column place the edit highlight on the basis row for incrementing click FILL to see the AutoFill dialog select Increment Current Cell and End of Table enter the increment value in the Increment field and check the Allow Overwrites Data command with all other fields and options blank off S To overwrite existing values in a portion of a column with incremented values place the edit highlight on the basis row for copying click FILL to see the AutoFill dialog select Increment Current Cell End of Table and Allow Overwrites Data enter the increment value in the Increment field and enter a No of Steps value corresponding to the number of existing rows to be filled with duplicates All other fields and options should be blank off If the number of steps exceeds the number of blank rows in the column the Allow Row Insertions box must be checked to add sufficient rows to meet the No of Steps criteria 2 To fill Retention Times into the RT column from the current
345. ne calibration level has been selected none of these options will apply and only a simple single level response factor calculation will be made this is essentially a Linear fit through zero If only two calibration levels are allowed only Linear Regression fitting is permitted If three or more levels are specified all the fit options are allowed FIT codes must be provided for each row in the FIT column If all peaks will use the same fit that code needs to be entered only once in the FIT column in its top row and the AutoFill function used to fill all subsequent peak rows with the same command 2 To define the curve fit for any peak click inside the FIT column cell in that peak s row and either type the code for the desired fit type You can also use the FILL command to AutoFill Duplicate values of any entered fit code into other rows To AutoFill the FIT column place the Edit cell highlight on any desired row and click on the FILL button to display the AutoFill dialog box Select Duplicate select the range desired and click OK to fill the column HPLC1 lt lt Ready gt gt File Fill Table Column E Fit Operation D C Increment Starting Row Ending Row C Specify C Specify p Current Cell C Up To Next Entry C Start of Table End of Table Options Utilitie Step Value First Time min AT No of Steps Last Time min n Allow insertions Allow progressions Allow overwrites
346. ne debet eer erede bebe eise tete repe ete 153 8 4 1 Hold FUNCH ONE atento eet oe 153 8 50 Working with Method Files e pf er rt dae e en e edes 154 8 5 1 Loading Methods eg RU erbe e oi de aa Tr etu REC e ERU eee TRER 154 8 5 2 Clearing Methods iden ei eene eame e a 155 Data Ally Chromatography Manager User s Manual 8 5 3 Saving Methods canet od e Pte nre dee EEEE OE ele o oreste tute oce pet diee oreet 156 89 4 Deleting Methods e Ese Eee a a ita o Pep n epe epe 156 8 5 5 Printing Methods senio eon e TEPEE SEs oE SESSE lahsbtsehdasdenispapssetsvesoetssebasieass 157 9 0 Integration Screen Finding and Identifying Peaks sese 158 9 1 0 Top Level Integration Screen esessssssssssesseeeeeeeeen eene enne A EES ES Ee trennen trennen 158 9 1 1 File Identification reo Ie E Re beide trie 159 9 1 2 Integration Algorithm ite rite Et Cp HOHER eR Ee re b te eater 159 9 13 System suttability eot eU ri Siete cetentiaas ottenuto tutta E R dents 163 9 14 Peak Identification eet Ee Ere E RE e RETI etes eei edes 165 9 2 0 Integration Peak Table ete ead Ae aie eS eia Uer ebs 165 9 2 1 Peak Table Functions oerte ret pert RR Rd re pet pina 166 9 2 2 Peak Table Components ss one ete fee ter ae ene rre ete ledere ep ect 167 9 2 3 Entermg Peak Table Values eet ttti p IEEE EORR Uere tre per ERE ra Ee etos 169 9 3 0 Working with Integration Files eseesessesse
347. ne to mark a rider peak on the leading or trailing edge of an already marked larger peak the system will place a BS Begin Skim and ES End Skim set of codes instead of the usual B and E Both forward and backward skims can be accommodated drawing in either direction Note that while drawing peaks or skims the system automatically prevents you from placing baseline marks which would yield impossible peak areas by forcing a peak or skim begin or end location forward or backward from the actual position you placed it to the first acceptable position This feature avoids errors resulting from poor code placement techniques or inadequate display resolution You can move outside the chromatogram shown in the current Graph window in two ways First moving the cursor to any border of the Graph window will cause the display to pan in that direction by approximately one third of the current full scale Panning in this manner can be done while you are drawing a new peak if necessary or between defining peaks without interrupting the Draw Baseline mode The second way to change the view while drawing baseline is to click the right mouse button which redisplays the Draw Baseline pop up submenu Clicking on Zoom in this pop up allows you to temporarily interrupt the peak drawing mode to rubber band a new zoomed view and zoom the display or unzoom in the usual manner You can use a combination of panning and zooming to achieve any level of
348. nes as the default scenario Each can have its own Graph defaults set independently simply click anywhere inside any window to make it active and then select the Graph Display Attributes Colors Offsets or Scaling dialog to specify the exact defaults for that particular window You can also close any window by using the Window control button at upper left and selecting Close in the submenu To set a Status Window as the default click on Graph Display in the top menu bar and then on Status to see the Status Box Default Dialog Figure 5 30 HPLC1 lt lt Configure gt gt File Edit Math Display View Print Help B Graph c pyramid alis60 pdf Configure Status Box Graph Selections mp ECD Analog Input UV Vis Analog Input Elps Time Elapsed Time Integ Rmng Time Remaining Time Sequence Calib Utilities HDI 4 Figure 5 30 Status Box Default Dialog 54 Data Ally Chromatography Manager Operators Manual This dialog allows you to select a status window which will appear in the current time base when the default Method file is loaded containing specified parameters regarding chromatogram or trace signals run timing and sample or sequence related information The left portion of the dialog contains a list of parameters which can be included in the status display window To select the desired parameters click on each one to highlight its name When all the desired items are highlighted be sure the E
349. nes can be subsequently split into additional panes 28 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt File Edit Math Display View Print Graph Move Size Minimize Maximize Close Ctrl F4 Next Ctrl F6 Figure 4 6 Graph Screen Program Control Menu To use the Display Split command see the section below on Graph screen 4 2 9 Switching Between Programs in Windows Since Data Ally runs in Windows 386 Enhanced mode other Windows or DOS applications can be running on the PC simultaneously These applications can either be maximized to full screen placed in windows of any desired size or minimized as icons Windows corresponding to non Data Ally application programs can be on screen at any time along with Data Ally channel windows in any relative sizes or orientations If you are running Data Ally as a full screen application you may wish to switch to other programs 2 To switch from Data Ally to another application window press the ALT TAB keys simultaneously Pressing ALT TAB repeatedly will toggle through all non iconized software applications currently in Windows gt To switch from Data Ally to another iconized application click on the Program Control button and select the Switch To command from the menu A listing of all loaded software applications will appear Click on the name of the application you wish to see and then click on the Switch To button The display will change to sh
350. nfiguration files as you will need to properly set up all applications you may perform with your Data Ally system These files should be given unique names and descriptions so that they can be located and identified easily and should be copied onto floppy disks or some other storage media for secure backup archiving purposes REMEMBER THAT THE ONLY WAY THE SOFTWARE CONFIGURATION CAN BE CHANGED IS BY ENTERING CONFIGURATION MODE SELECTING A CONFIGURATION SO THAT IT APPEARS IN CONFIGURATION MODE AND EXITING CONFIGURATION MODE The act of exiting Configuration Mode always automatically applies the Configuration currently loaded and viewed in Configuration Mode To change configurations you must first load the desired new Configuration file in Configuration mode and then exit Configuration to apply that file to the system The Configuration file used to set up the system can be located in any physical path on disk 5 3 1 Saving Configuration Files To save the current Configuration on which you have been working under its previous name click on Files on the top Command Menu bar to see the Files submenu Figure 5 72 Click on Save Config on the submenu to resave the current configuration overwriting the old file To save the current Configuration under a new name click on Files on the top command menu bar and click on Save As the Save As dialog box will appear Figure 5 73 Enter the desired name or modify an existing filename in the dialog
351. ng and Formatting Data Result Tables seen 234 14 4 0 Data Ally DDE Names For Use On Reports seeeeeeeeeeeeeeeeeenen nennen nennen eene ene 235 14 4 1 Current Context Sensitive DDE Names seen enne nennen renes 236 14 4 2 Calibration DDE Names inte eite kde hte eee rir eee te ipei prede 236 144 3 Integration DDE N t es eed SER GR eaten ose Di penes ipie pe 238 T444 Method DDE Names eee tee t edere eto eere erint inet ecka ute estre etie ete bct icu edes 238 14 4 5 PDE DDE Names tene atraer Perte e ee ee eR 240 14 4 6 Sequence DDE Name s notetur npe D RR Dp ema ORT EESTE DERSE dire 241 15 Hardware Specific Interface Information sse nnne nennen rene enne entes 243 15 1 Autosaniplers teeth ei e bte i EO ME xoti Tee Ug retine 243 15 1 1 Marathon Autosampler by Spark Holland sese rennen 243 15 1 2 Parameters which can be controlled on all Models esee 244 15 1 3 Parameters which apply to XT and Basic Plus Models Only eee 244 15 1 4 Connections Between Data Ally and Marathon sese 244 15 1 5 Placing the Marathon in Remote Control Mode sese 244 15 1 6 Autosampler Sequence Control Issues eeeseeeeeeeeeeeeeeeeee nennen nennen renes 244 15 1 7 Injection Mode Sae eren eremi dp iate eee tee pee tette e ederet rne 245 15 1 8
352. ng behind it you can drag it to any new position 26 Data Ally Chromatography Manager Operators Manual S To move a window click the left mouse button with the pointer anywhere in the title bar of the window to be moved and hold the mouse button down while you drag the window to the new position At least some of the title bar must be visible after a window is moved You can also use the Move command from the Program Control Menu by clicking on its button S To move a dialog box displayed on screen click the left mouse button with the pointer on its title bar and dragging A window cannot be moved if it is currently maximized and fills the screen 4 2 4 Expanding Windows to Maximum Size The maximum size of any window is the entire screen display Channel windows in Data Ally are normally maximized gt To maximize a program or other window click the Maximize up arrow button in the upper right corner of the window s top bar Figure 4 5 The window will expand to fill the screen You can also use Maximize in the Program Control menu in any window by clicking on its button by pressing CTRL F10 or by double clicking with the left mouse button on the top bar of the window TBI 4 Graph 4 Figure 4 5 Maximize and Minimize Buttons for Time Base top and Program Windows 4 2 5 Resizing Windows Any window can be resized to fill any desired space on the screen If you are using other software programs at the same
353. ng row entry place the edit highlight on that row click FILL to see the AutoFill dialog select Duplicate Current Cell End of Table and Allow Overwrites and enter a No of Steps value corresponding to the number of existing rows to be cleared filled with a blank entry If the number of steps exceeds the number of blank rows in the column the Allow Insertions box must be checked to add sufficient rows to meet the No of Steps criteria 151 Data Ally Chromatography Manager Operators Manual S To fill a column in a new table with incremented values enter the beginning basis value in the first row place the edit highlight on that row click FILL to see the AutoFill dialog select Increment Current Cell and End of Table enter the increment value in the Increment field and enter the number of rows for which incremented values are to be inserted in the No of Steps field 2 To fill a column with incremented values in blank rows up to the next existing entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Increment Current Cell and To Next Entry and enter the increment value in the Increment field leave other fields and options blank off To fill an existing row s incremented value into more or less empty rows than the number of empty rows found in the current column up to the next entry place the edit highlight on the basis row click FILL to see the Au
354. ng working report format and then resave it as a new template file Modifying and saving templates should be done without Data Ally running and the template opened with the shift key See Section 14 1 2 14 3 1 Modifying A Template Paper Size Data Ally templates are designed for three pauper sizes A4 Letter and Legal They are designed so that the template can be converted from one paper size to another with a modicum of effort Setting Default PaperSize The program files Calibration Integration Method and Sequence each have a default template that is used whenever the Files Print menu item is used This system default template can be modified in the Data Ally ini file Under the ini rpt section define PaperSize Letter or PaperSize Legal or PaperSize A4 If this definition is missing the Data Ally data system assumes PaperSize A4 Required Program Filenames The following table summarizes the program templates that will be opened depending upon the PaperSize option Path reports cal reports met reports int reports seq In Europe PaperSize A4 a4cal xlsa4met xls a4int xls a4seq xls In the U S A PaperSize Let letcal xIsletmet xls letint xls letseq xls PaperSize Legal lglcal xls lglmet xls lglint xls Iglseq xls Hints for Designing A Template For More Than One Paper Size The Summary Info Dialog Box can be opened with menu item File Summary Info For program files the comment box contains information about the Top Margin and
355. nitialized or when another loaded method file is cleared Therefore it is recommended that only Events table parameters which are very commonly used in applications be entered as defaults since they will have to be cleared for programming or running alternative methods For most installations it will be most appropriate to leave the default method events table blank empty after its configuration has been set You have now completed basic method default configuration for this time base and can proceed to configuring the Integration programming screen 5 2 6 3 Integration Default Screen Setup Click on the INTEGRATION SoftButton to set the Integration Configuration Default Window Figure 5 53 71 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File Help Integration default int nom Name Hefautt int Algorithm Parameters Method Slope Sensitivity Integ Slope Interval Baseline Drift Min Height Calib Min Width Sequence Min Area Utilities Dropline Ratio HPLC1 Timebase jm e rea ES gen HPLC1 Edit I Peak Table EU zi Figure 5 53 Integration Configuration Default Window This program screen is used to set the default or basic peak integration algorithm and to specify peak identification options and the format of the peak identification table Like the Method Default Configuration screen it contains two levels a top
356. nnen teen nren trennen rennen ene 132 7 7 0 Manual Printing of Graph Documents eese enne ene nren trennen reete ene enne ens 133 TTA Printing Chrom tograms c nomenb eee ebore pet retener 133 7 7 2 Selecting Information Included On Chromatogram Printouts eesseeeeeene 135 1 1 3 Specifying Report Types ettet tret ente ette n ottiene ee SE einer 136 7 8 0 Running From the Graph Screen sesessesssssssseseeeeeeee enne nennen trennen nee enne ene 137 8 0 Programming and Executing Runs The Method Screen sese nennen 139 8 1 0 Method BUBDCEIOnS tico dime eei eee eet iet eec ERU issue E 139 8 2 0 The Top Level Method Dialog seen eene eesnik drovi rb eis iE 140 8 2 1 Method File Identification nsin A a E A eene enne entente E nennen 140 8 2 2 Setting Inputs Criteria secet pner ree trato pn ter teet t otim ee detis 140 82 3 Setna Run CEtera aucti ete p o etd nete ariete tiep bo e ted p ets 141 8 2 4 Setting Results Criteria ient ettet b EISE MIL E s eo ae ete perpe ean 142 8 3 0 Events T ble Eee teo c e etr ee Ue a edere 144 8 3 1 Events Table Functions rite reete reete DH eter EE rH LOS Ete pe trece ege enin 144 8 3 2 Events T able Column P rametets 5 eR Ole oae Ope aee etate ipei ce ER DU Eee 145 8 3 3 Entering Events Table Parameters sess eee en eene nenne trennen nennen 148 8 4 0 Manual Operation eter
357. nner When this stage three integration is complete all co eluting peak groups have been drawn with baselines but individual peak components in each group are not yet resolved 4 For each peak group the largest highest maximum signal peak is found The integrator scans down from that peak s maximum value along both sides until it finds the first valley or location on either side where the Slope Sensitivity threshold is not passed for a number of points exceeding the minimum peak width threshold At those positions lines are dropped to the current baseline and the area of the largest peak within those drops is computed On the trailing side all the remaining area left in that group of peaks before the next baseline segment is computed and compared to the area of the primary peak If the ratio of the primary to remaining areas exceeds the Drop Line Ratio value the drop line is considered valid and the process is repeated on each side of the large peak using the next peaks found In any cases where the Drop Ratio is not exceeded the trailing peaks are skimmed Leading edge peaks are skimmed only if a Forward Skim Zone Code is present allowing this treatment When this phase is completed all co eluting peak groups are resolved via either drop lines or skims according to the integration algorithm criteria 5 For each skimmed peak in each co eluting group a final test is applied to determine if a skim or tangential separation should be
358. nt Show EE Figure 5 20 Calibrate Default Dialog 48 Data Ally Chromatography Manager Operators Manual Again as with the Analyze dialog above if you wish to add or remove correction factors or internal standards from this dialog you must first modify the Calibration screen configuration by clicking the Calib SoftButton If defaults values for any factor s are entered here those defaults will appear in the actual Edit Calibrate dialog in this time base only if information specifying those factors is not acquired from the loaded chromatogram raw data file Just as with the Analyze dialog above the items in the Report area at the bottom can be defaulted during configuration in this dialog All other items will be automatically entered from the current Method file or will be loaded from chromatogram records when processing files Enter any defaults as desired and click OK when done or Cancel to retain the previous settings To review and reset defaults for manual integration click the Graph Edit command and then Integrate in the submenu to see the Integrate Default dialog Figure 5 21 HPLC1 lt lt Configure gt gt File Edit Math Display View Print Graph c pyramid alis60 pdf Help Graph n Slope Sensitivity Manoa Slope Interval Baseline Drift Integ Noise Reject Integrate seavence Min Peak Height I View Only Min Peak Width Calib Min Peak Area Dropline Ratio Utilities HPLC1
359. nt report types available Select the one template to be used for the new report by highlighting it These templates are all XLS files present in the Data Ally REPORTS subdirectory Click on OK when you are finished The selected report will now be produced by Microsoft Excel either on screen or on the current printer or both Figure 7 22 If you have chosen screen display you can page down through the report sections for review using the Excel Page button or zoom in on any section of the report with the Zoom button Note You must have a Printer Driver configured in Windows else a report will not be generated 118 Data Ally Chromatography Manager Operators Manual Microsoft Excel AREAPCT XLS Les evo zn i eur Meine Leese ue EEEE EEL Figure 7 22 Example of Typical Area PerCent Report via Excel Only one report can be generated via Analyze at a time for a single chromatogram To manually produce additional reports repeat the steps above and select a different report template To save the report as an Excel XLS file type a target directory path and filename for the report file into the FILENAME entry field before exiting the Analyze dialog box with OK A new XLS file will be created in the target path including all the information and format for the current report template used 7 3 6 Manual Calibration You can manually update a Calibration if the current foreground chromatogram is for a standard
360. ntract When the desired column width is indicated by the position of the cursor release the mouse button and the column will be resized and the entire table redrawn accordingly This feature permits you to match the exact sizing of each column to the expected character width of the entries expected in that column you can also effectively remove certain columns without actually eliminating them from the table by reducing their widths to a very small size 207 Data Ally Chromatography Manager Operators Manual 11 3 2 Sequence Table Columns The following is a listing of possible columns which can be included in a Sequence Table Typically not all items are present in any single Table It is indicated whether or not each individual item is configurable or must always be present in the Table 208 ENABLE This field determines whether any individual lines rows in the Sequence Table will be executed once the Sequence is started Each row in this column can be either highlighted enabled or not highlighted disabled disabled rows will not be executed Double clicking the left mouse button inside any cell in this column will toggle the highlight on or off Disabling or enabling of rows in this manner can be done while a Sequence is executing if desired NO Configurable This field specifies VIAL NUMBER for an autosampler tray if autosampler control is included and configured this column should only be configured if such control is provid
361. nu Bar to see the Files submenu Figure 10 3 HPLC1 lt lt Ready gt gt File Load Calibration EB Reference Table calt Load Default default cal G Peak Name Calibration Description WA Aa Clear Calibration Save Calibration Save Calibration As Print Calibration Calibration Table caltest cal Peak Three Utilities 7 i Cone bn Int File Cg Filename al HPLC1 1 10 0 int c 0 Timebase 2 amidica int d HPLC1 3 3 int E E 2 80 0 0 int I TRO Figure 10 3 Calibration Files Submenu Now click on Setup to see the Calibration Setup dialog box Figure 10 4 E HPLC1 lt lt Ready gt gt ernie Oraa aa aiai nce Table caltesi Calibration Setup lli Peak Name Graph 5 Integration eattesting int L o P Method Standard Levels 4 Integ Calib Utilities HPLC1 Timebase HPLC1 Edit Timebase E mm Figure 10 4 Calibration Setup Dialog The Setup dialog defines the Integration File Peak Table reference for the current Calibration file which must be an existing Integration file 2 To select the referenced Integration file name click inside the Integration entry field and type in the desired Integration path filename as reference for constructing the required Peak Table or click the down arrow button to the right of the field to see a listing of all Integration files in the current path To select one of these files as the reference s
362. o Spectrum at time zero 15 4 1 2 Similarity Index The similarity index SI compares two spectra across the entire wavelength range of the captured file The search is performed using the following formulas a 4 a 2 a An Where a 44 is the absorbance at A The representative vector is one spectrum per vector as follows Since there are two spectra involved S71 corresponds to Spectrum 1 and S72 corresponds to Spectrum 2 S1 a1 1 a10 2 a1 S2 a2 Al a2 A2 a2 An The Similarity between two spectra is calculated as follows Sl S 1xs 2 S71 x S71 2cos 2 Peak Purity is determined using the average of Similarity of the Apex vs the Upslope spectra and the Apex vs Downslope spectra The spectra used to calculate the purity index are as shown below Purity Slrsa sej SlrsA sB SD sB 2 Where Sa Apex spectrum Sp Background spectrum Sc Upslope spectrum Sp Downslope spectrum 254 Data Ally Chromatography Manager Operators Manual The Purity index value will range from zero to 1 with values nearer to 1 being more pure 15 4 1 3 Setting the Number of Peak Spectra To set the number of Peak Spectra go the Integration Peak Table and enter a value indicating the desired number of Peak Spectra choice of 3 5 7 or 9 See Figure 15 6 below TB1 lt lt Ready gt gt Administrator File Sequence Peak Table default int read only RT Window Pu
363. o any other available channel during any run The following steps occur each time the RUN button is clicked in the Graph screen 1 Data Ally reviews the Method now present in the current channel If this Method specifies the use of Integration or Calibration files for processing any data the referenced files will be loaded for the first designated active detector input 2 All chromatogram or other files currently loaded into the Graph screen registers corresponding to the detector inputs which are active in the Method are cleared If those files have not been saved the software will direct the operator to save those files before proceeding to execute the Method Chromatogram files not occupying registers assigned to the signal inputs for the Method will remain in the Graph window 3 The channel will begin to execute the Events Table for the current Method The Active light on the panel of the Communications Processor module for the channel will illuminate while the Method is running If no Events are included in the table the Method will simply acquire the data from the specified detectors for the DURATION time and at the RESOLUTIONS specified for each input As the data are acquired the Graph window will either rescale itself automatically if AutoScaling is specified in the Method or will assume the fixed scaling directed by the Method If fixed scaling is used the active window will scroll forward each time the trace approaches 8096
364. o change the offset of any file directly from the Graph screen click and hold down the right mouse button with the pointer on the filename icon button corresponding to that file A special offset cursor will appear in the graph window vertical up down arrows The pointer cursor will change to a two pointed arrow symbol When the symbol appears hold down the left mouse button and drag the chromatogram to its desired new position on the display up or down At the intended new position release the mouse button and the chromatogram will be anchored in its new position You can use the Status Box Section 7 6 4 as a guide to determine how much offset is being applied graphically to any trace The Display Offset command can also be used to offset chromatogram files Any file offsets created by dragging as above will automatically appear in the Display Offset dialog box Signal Axis It is possible to configure Data Ally to show plots of Method program information such as HPLC pump gradients In normal Autoscaling graph mode the relative graphical scaling of each active signal trace or program profile is determined automatically so that the entire range of each plot is fit on the same graph as all other plots As a default the y axis or signal axis for each graph window is labeled with voltage units regardless of whether or not signals or traces measured in other types of units are present If pumps are configured in a time base you can display
365. o the new location then drop it by releasing the mouse button The other buttons will be displaced and the dragged button inserted in the dropped location You can also drag and drop in this manner to rearrange the order of the SoftButtons in the left screen margin or any other sets of screen specific buttons Now proceed to configuring defaults for the Method program screen 5 2 6 2 Method Default Screen Setup Click on the METHOD SoftButton to set the Method screen defaults A screen similar to the Graph default screen will appear Figure 5 41 HPLC1 lt lt Configure gt gt File Method default met Detectors Name default met Resolution Graph nus Ruvvis fo SEIT Duration min Ix ECD Options Help Integ Results Filename Integration Calibration Lev Type wwe fe mee P BH NE oo E all Utilities Li Timebase Du HPLC1 di Events Table a E ri Figure 5 41 Method Configuration Dialog There are two sections to the Method screen which are configured separately the top level or global method dialog and the Method Events table window The contents of both are completely controlled by the manner in which you have specified Components Configuration for this time base above Top Level Method Setup 61 Data Ally Chromatography Manager Operators Manual The Method Configuration Dialog Figure 5 4
366. odified Calibration file using a new name click on the SaveAs item in the Files menu The SaveAs dialog box will appear Figure 10 14 Click inside the filename entry field and type in the desired new filename If you wish click inside the DESCRIPTION field and type a description of the new file which may help identify this file in the directory listing for future recall When the correct name and description appear click on OK to save the file to the current disk path If another file already exists in that path with the same name an error message will instruct you to change the filename before saving HPLC1 lt lt Ready gt gt Calibration Curve r Reference Tahle caltest ca SAVE CALIBRATION FILE File To Save c pyramid caltest cal Save As File Name Directories ic pyramid caltest call c pyramid gt pyramid C3 anticon5 C3 catechol C3 Imws C3 orgacids pdf List Files of Type Drives Calibration Files cal 2 c ms dos 5 2 Description F 7 E Description Figure 10 14 Calibration Files SaveAs Dialog gt To apply a description to the current Calibration file click on Calibration Description in the Files submenu The Description dialog box figure 10 15 will appear You can type in a single or multi line description which will be saved with the file and will appear in the Description box in the Load directory Figure 10 12 Alternatively you can enter the description directly into t
367. of a loaded chromatogram or chromatograms can be panned horizontally or vertically To pan in any direction move the pointer cursor with the mouse to the inner left right top or bottom edge of the Graph window until a heavy horizontal or vertical arrow appears Figure 7 3 Then press and hold the left mouse button and the chromatogram s will begin to move on the display in the direction of the arrow Holding the button down momentarily will result in a small shift in position of the chromatogram s If the button is held down continuously higher speed panning will begin and the contents of the display window will be moved and redrawn continuously Panning is very useful for moving about chromatograms with a constant display magnification in the manner of reviewing a chart recorder plot 101 102 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt File Edit Math Display View Print Hep I Graph c pyramid pdf 987 571 pdf Graph WINDOW UNTIL IT BECOMES A HEAVY ARROW Method THEN HOLD DOWN LEFT BUTTON AS DISPLAY Integ Sequence Calib Millivolts Utilities HPLC1 Timebase HPLC1 Edit TB2 Timebase TB2 Edit SS Figure 7 3 Panning Graph Display At Right Edge 32841 32 50 UNAM epyramid pdfias 57 1 pdf Zooming The current display window can be zoomed by using the mouse pointer to select an area of the screen which is to be expanded to fill the full display w
368. of the full screen time value with the total time span for the window remaining constant With AutoScaling the display Will resize itself at continual intervals to accommodate the increasing length of the chromatogram traces Signal Autoscaling can be used with either fixed or auto time scaling If signal is autoscaled the signal axis of the active Graph will expand to contain the largest excursion of any chromatogram being acquired 4 While new chromatograms are being acquired in real time the operator can pan the display to any previous position reset the scaling and use any zoom functions to examine any portion of the already plotted traces The Display can be reset between AutoScaling and fixed scaling scrolling modes Offset can also be adjusted for any individual trace using either the Display Offset command or by manipulating the filename icon buttons Colors of any trace s can be changed using the Display Colors command and additional graphics such as pump or temperature profile plots can be placed in the active window or removed 137 Data Ally Chromatography Manager Operators Manual Of course you can also use the SoftButtons to switch to any of the other program screens in the same channel or to move to any other channel without interfering in any way with the run in progress If more than one channel is configured you can use the Monitor Timebases display function to show windows for different Timebases on a single screen 5
369. of time is required before actual Sequence processing begins in order for Data Ally to perform all the necessary file checks It is recommended that the Validation feature be used if multiple row Sequences will be processed without operator attention such as during overnight sessions Checking the Suppress check box for either Integration or Calibration disables any integration or calibration commands which may be included in the Methods incorporated into the Sequence table These commands are most useful if you wish to recall previously integrated and manually edited chromatograms for reprocessing purposes or if you wish to use only the current Calibration file data sets in order to produce reports Suppressing Integration or Calibration by checking the respective boxes will avoid any new integrations which could change the quantitation of identified peaks or calibrations which could inadvertently modify the calibration response factors 11 3 0 Sequence Table The Sequence Table Figure 11 1 is a queuing list for processing a series of samples using any selected group of Methods Each line or row in the spreadsheet corresponds to a single vial on the typical autosampler from which one or more injections can be made Processing of an entire programmed Sequence can be done continuously under Data Ally control or the series of runs and samples programmed can be interrupted at will by the operator You are free to disable or modify any lines or
370. olors command below Fill is often useful for graphically distinguishing peaks by increasing contrast against the screen background The normal default for Fill Above CG is disabled Fill Below CG This fills the display with a color below the foreground chromatogram trace which can be changed via the Display Colors command The normal default is fill off Fill CG Above BL This fills the actual areas of all peaks in the foreground chromatogram between the trace and drawn baselines This Fill Attribute can be very useful if itis enabled during manual baseline drawing since peaks are filled actively with color as baselines are adjusted The color can be reset using Display Colors The normal default is fill disabled Show Zone Codes This turns on or off display of zone codes The normal default is for all codes to be displayed Show Baseline This defeats or enables display of baseline drawn under all found peaks The normal default setting is baseline enabled Show Baseline Marks This Attribute shows the locations of all baseline codes by tic marks Show Baseline Codes This causes baseline codes to be displayed or omitted The normal default for baseline codes is enabled Note that any combination of codes and their corresponding tic marks can be selected Data Ally Chromatography Manager Operators Manual e Show Peak Names This causes peak names to be shown or omitted If enabled names of all identified and named peaks will a
371. on before it was iconized If time base or other icons are not visible on screen after minimization you can display them at any time by pressing the ALT ESC keys This will cause all icons for all current minimized application programs in Windows to be shown at the bottom of the display 4 2 8 Splitting a Window Data Ally Graph windows can be split into as many desired panes as you like by using either the Split command in the Program Control Menu or the Display Split command from the Command Menu bar Splitting a Graph window lets you see different parts of the same chromatogram in different panes on screen at the same time or puts different chromatogram traces in different windows in real time for differentiation When Graph windows are split into more panes all panes use the identical commands from the Command Menu bar on top of the screen but only one pane is active at any one time you select the active pane by clicking anywhere inside that pane Each time a Graph window is split it retains all the display characteristics of its parent window but any such characteristics can be changed as desired in the child window S To use the Program Control Menu to split Graph windows click on its button at the top left corner of the current Graph window and select Split ALT HYPHEN T Figure 4 6 The space filled by the current window will be split into equally sized panes Each pane can be resized and repositioned by dragging or pa
372. on file can have an unlimited number of independent and separate Calibration files which use it as a reference but each Calibration file can have only one Integration file upon which it is based 9 1 0 Top Level Integration Screen The top level Integration screen Figure 9 1 is used to name the Integration file to set the global integration algorithm for that file to specify options for peak finding and calibration and to select the names and types of reports to be created after processing chromatograms automatically A large button at the bottom of the screen is used to switch to a view of the Peak Table portion of the Integration file A second button is used to enter Comments describing the nature of the Integration file Pyramid Chromatography Manager zz Algorithm Parameters Method Slope Sensitivity fo uVis 5 5 30 Slope Interval 5 ipsus Baseline Drift 5 u s ES Noise Reject o Minimum Peak Height ioo u Minimum Peak Width 5 s a Minimum Peak Area ho uVs Dropline Skim Ratio 10 0 T51 JLL System Suitability TB1 Column Parameters Edit Run Peak Table Figure 9 1 Top Level Integration Screen 158 Data Ally Chromatography Manager Operators Manual 9 1 1 File Identification Like Methods the filename for the current Integration program file is defined when the file is saved and is shown in the top window bar When each channel is first initialized
373. op lines as described above To terminate Drop line placement mode click on the right mouse button and select any other option or End Drawing HPLC1 lt lt Ready gt gt ne File Edit Math Display View Print Help Graph c pyramid pdf987 571 pdf gg Graph Method Integ Sequence Calib EB E Millivolts Utilities HPLC1 Timebase HPLC1 Edit fo i Timebase UMs capyramid pdfia97 57 1 pdf TB2 Edit Figure 7 16 Placing a Drop Line With Pointer 7 3 3 3 Reintegration Reintegration is always automatic on a stepwise basis after each new set of baseline codes is placed to define a new peak or after existing codes are cleared or moved to re define the existing set of peaks Note that reintegration will utilize Peak Table information to name newly integrated peaks Only global integration using the Integrate commands and not Reintegrate will account for zone codes placed in the graph window Both global integration and reintegration will affect every other window in which the current foreground chromatogram in the active window is also present You can adjust the display of baseline codes and other peak information in any window during reintegration by changing each window s Display and View settings 7 3 3 4 Moving Baseline Codes gt To move baseline codes already on the chromatogram click on the right mouse button to display the pop up editing menu Figure 7 15 and click on Move Codes A hand icon w
374. or active light after 10 seconds m RET Module may be reset by switching power off UV Calib ECD If problem persists contact your Axxiom dealer Ltilities Figure 17 9 Communications Error Information Message Page Faults A page fault error occurs during certain types of operations related to DOS or Windows functions such as file logging or printing Page Fault errors are usually fatal in that they cause a permanent halt to normal Data Ally operation which cannot be remedied by simply clearing the displayed error message box If Page Fault errors persist the DOS and Windows setup commands detailed in the above sections should be carefully reviewed to determine if all recommendations are being followed Another potential cause of Page Faults or General Protection Faults occurs on certain computers not compatible with driver commands associated with Western Digital disk controllers often embedded in the Windows SYSTEM INI file These commands are related to the Use 32 Bit Disk Access check box command in the Virtual Memory setup If Page Fault errors recur while Data Ally is running check the SYSTEM INI file using Windows Notepad to determine if the two lines device int13 and device wadctrl are present Figure 17 10 264 Data Ally Chromatography Manager Operators Manual Program Manager ions Window Help Notepad SYSTEM INI 386Enh device c XuentXuptd 386 deuice c Xpyr97 6 uptd 386 32Bi
375. or formatting and creating a single report type Template files do not actually include any report or results data 92 Data Ally Chromatography Manager Operators Manual e Report Files These files are produced using Report Templates and contain results and graphics describing one or more chromatograms Report files can be reviewed and edited within the data system at any time and can be exported to other applications or computers Microsoft Excel is used via DDE links to create reports For Excel XLS files are employed as report templates These are loaded into a special subdirectory of the main Data Ally directory called REPORTS Excel can be used directly to edit these XLS report template files See Section 13 All Data Ally file types can be listed copied edited and deleted using standard DOS and Windows commands Any type of file can be transferred to another application or another computer You can translate raw data files and report files into different file formats using the commands in the Utilities screen if this is desired Chromatogram files produced by Axxiom 700 Series Data Systems can be easily translated directly into Data Ally formats 6 3 0 Entering the Data Ally Software Data Ally can be started from Microsoft Windows Once the software is initialized it is loaded into memory and all configured systems are available for running Methods or processing data 2 To start Data Ally from Windows Double click on th
376. or manipulation in the report A single report can include any combination of these elements in any desired order When an existing report template file is opened in Excel any fixed text it contains will be shown in the currently selected font and style and in the correct position Fields which will contain data captured from Data Ally via DDE links are shown with a proprietary notation that contains a leading exclamation point indicating that a DDE reference will be created for the field in that position These DDE fields will be activated when they are listed in a defined name Dde Cells See section 14 2 6 You can use the scroll bars at the right side and bottom of the Excel worksheet or the PageDown PageUp keys or the up down left right arrow keys to move through the worksheet and to advance to subsequent pages if more than one page is formatted 14 2 0 Excel Basics PLEASE REFER TO YOUR MICROSOFT EXCEL USERS MANUAL AND DOCUMENTATION FOR A MORE DETAILED EXPLANATION OF EXCEL S FEATURES AND CAPABILITIES THE FOLLOWING SECTION IS A BRIEF INTRODUCTION TO THE BASIC ELEMENTS AND FUNCTIONS IN EXCEL NEEDED IN FORMATTING REPORTS WITH Data Ally The Excel worksheet consists of a series of numbered rows and columns making up a large number of individual cells which can be assigned values or formulas and can be edited or moved A complete set of tools for formatting the appearance of the worksheet fonts borders shading and for performing graphi
377. or that Component For this example click Detector to see the list in the right box of all available detector interfaces Figure 5 13 HPLC1 lt lt Configure gt gt File Component Configuration pyramid cfg Set Components Add Component List of Components List of Drivers Detector ESA Electrochemical unica Figure 5 13 Selecting Desired Detector Type begin doing so click the left mouse button on Components in the Command Menu bar to display the Components submenu 43 Data Ally Chromatography Manager Operators Manual Depending upon the type of system e g HPLC GC etc you specified in the Set System command above certain choices for component type may be grayed out in the selection listing which are not appropriate for that type As an example assume your system is configured as HPLC To set up this Data Ally time base to use the ESA 5200 electrochemical detector click on ESA5200 in the right Drivers list box to highlight it and then click OK The Detector Setup dialog box specific for this detector driver will appear Figure 5 14 HPLC1 lt lt Configure gt gt File Component Help F Configuration pyramid cfg Grapt Set Components Installed Compo Set Electro Chemical Detector HPLC1 Syste UV Vis Analog Type ESA ECD Analog In Input Flags OTT options Cells 1 C2 C3 04 Hardware Interface Module Serial Port Control Fi
378. ormat see Section 13 Click on the check boxes to select calibration report display Show or printing If you wish to save the calibration report as a separate file to disk you must enter a path filename for that file in the CAL REPORT entry box This will result in an XLS file being saved using the template report format to the target path When complete click on OK to do the calibration update The current foreground chromatogram will be used to increment the current Calibration file If the SHOW and or PRINT boxes are checked a calibration report will be shown and or printed Figure 7 24 You can click on the CALIBRATE SoftButton to view the current Calibration Table and Plot to verify that the new standard has been accumulated into the table see Section 10 below HPLC1 lt lt Reporting gt gt ME Fil Next Previous Zoom _ Print Setup Margins Close Help Preview Page 1 of2 Figure 7 24 Example of Calibration Report 120 Data Ally Chromatography Manager Operators Manual 7 3 7 Manual System Suitability Calculations System Suitability calculations may be performed on any peaks in a chromatogram Normally peaks will be baseline resolved to obtain meaningful results With Data ally only selected peaks may have system suitability calculations performed on them Normally at least two peaks will be selected to enable all parameters to be calculated In addition the unretained peak should be
379. orresponding data point on the graphical plot in the Calibration plot window above If standards at more than one concentration level have been run a multilevel calibration has been produced and a calibration curve is fit and plotted to the points in the Plot Window representing all the data The current highlighted position in the Calibration Point Table is dynamically linked to the Plot window so that the plotted data point corresponding to that line is always itself highlighted circled in the plot Moving the highlight to a different point in the plot automatically moves the table highlight to indicate the data for that new point and vice versa 10 2 3 The Calibration Plot The Calibration Plot Figure 10 7 is a visual tool for analyzing the quality and characteristics of a Calibration file for any peak which is being used to generate quantitative results for unknowns All standard response data in the Point Table will always be plotted automatically in a manner selected via Calibration Options see Section 10 3 6 below Usually the default plot setup is for a plot of standard area versus concentration the nature and axes units for this plot can be modified Each time a new calibration run is completed and its result added to the calibration table a corresponding point representing that result is added to the plot Points corresponding to individual standard runs which are currently active included in the Calibration Curve computat
380. osampler control to be enabled Autosampler Loop FillTime 3s Preflush Volume u Autosampler Needle Wash figure 15 1 Marathon Autosampler Setup Dialog While still in configuration and on the Sequence screen enable the columns in the Sequence Table that are desired for control of the autosampler Typically the Vial Number column Number of injections per vial and volume for the XT model are enabled See section 5 for general configuration details Figure 15 2 shows a typical Sequence Table Note Figure 15 2 does not show an injection volume column because the Marathon Basic model was configured in and it does not support variable injection volume ES TB1 lt lt Configure gt gt Administrator viz le Sequence default seq Name default seq Process Mode Position Reports Options Erabi amp Start Enable Enable me argui K M Print E Validate C Reprocess K C Summarize Rend Show T I Do Not integrate Ix Do Not Calibrate Sequence Table default seq nA mA mA mA Method Cg File Int File Cal File IE Hist ES g ra mS ce Figure 15 2 Typical Sequence Table For Autosampler Operation 243 Data Ally Chromatography Manager Operators Manual 15 1 2 Parameters which can be controlled on all Models e Loop Fill Time Range is 1 to 999 seconds e Pre Flush Volume Range is 50 to 999 mL e Needle Wash On or Off Preflush ran
381. ou will not need to make frequent adjustments when writing new Methods IMPORTANT NOTE THAT AFTER TYPING ENTRIES INTO FIELDS IN ANY PROGRAM SCREEN YOU MUST EITHER CLICK INSIDE A DIFFERENT FIELD CLICK ON ANOTHER SCREEN FUNCTION OR PRESS ENTER IN ORDER FOR THE LAST FIELD ENTRY TO BECOME PERMANENT RESOLUTION values cannot exceed the equivalent of 400 points second 8 2 3 Setting Run Criteria Parameters in the Run boxed region include the total run time for the Method or DURATION and any sample specific information accessed by clicking the SAMPLE button 2 To set the DURATION or run time for the Method click with the pointer inside the DURATION field and type in the desired total run time The range for run time is determined in Configuration A time value can be entered in minutes or seconds gt To set sample specific information click on the SAMPLE button to open Sample Info dialog Figure 8 3 141 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt me P Method default met read only Sample Information EN m Sample B Correction Factors Dilution Weight internal Standard Amounts Figure 8 3 Sample Information Dialog This dialog contains only those parameter entry fields which were specified for the Method screen configuration in this time base You can click inside any of the fields and enter values for each parameter as desired All this informat
382. ource file click its name to enter it Note that changing the Integration source file name using Setup will cause all data in the current Calibration file to be deleted as the Calibration Reference Table is reconstructed 180 Data Ally Chromatography Manager Operators Manual S To set the total number maximum number of different standard concentrations for this calibration click on the right arrow next to the No of Standard Levels field and choosing the desired number of levels 1to 16 This will cause the selected number of columns to be placed into the current Calibration Reference Table to accommodate all levels If the Integration source filename is not changed but the number of levels is modified using Setup existing data in the current Calibration table will not be lost and the Reference Table will show added levels When both the Reference filename and number of levels are shown as desired click on OK to restructure the Calibration Reference Table Immediately the listing of peaks by name and RT in the referenced Integration file will appear in the Calibration Reference window replacing any previous set of peaks Also the Reference Table will immediately update so that it contains the number of level columns specified via Setup NOTE THAT EACH TIME SETUP IS USED TO CHANGE THE INTEGRATION FILE REFERENCE THE EXISTING CALIBRATION TABLE IN THE CURRENT CALIBRATION SCREEN IS CLEARED AS WELL AS ALL PREVIOUS ENTRIES IN THE REFEREN
383. ow Overwrites command with all other fields and options blank off S To overwrite existing values in a portion of a column with incremented values place the edit highlight on the basis row for copying click FILL to see the AutoFill dialog select Increment Current Cell End of Table and Allow Overwrites enter the increment value in the Increment field and enter a No of Steps value corresponding to the number of existing rows to be filled with duplicates All other fields and options should be blank off If the number of steps exceeds the 152 Data Ally Chromatography Manager Operators Manual number of blank rows in the column the Allow Insertions box must be checked to add sufficient rows to meet the No of Steps criteria Use of AutoFill commands will only overwrite existing cell entries in any table if you have checked the Allow Overwrites option checkbox After using the automatic fill function you can of course make any desired changes in any of the filled times before saving the Method program and its Events Table The FILL feature can be used repeatedly to set up any series of table columns 8 3 3 2 Method Change Restrictions Every change made in a current Method screen in any channel is preserved until one of the following OCCUIS e Another change is made to that parameter or value by any available means e The Method is overwritten by loading a new Method with the Files Load command e The Method is
384. ow the newly selected application 4 3 0 Mouse Pointers and Techniques Your mouse will work with Data Ally in mostly the same ways as with other Windows applications 4 3 1 Pointer Shapes When you move the mouse pointer to different areas on the Data Ally screens which correspond to different functions the shape and appearance of the pointer may change to help you recognize which functions are available If the pointer assumes a shape representing a function you do not wish to use you can either press lt ESC gt to restore the pointer to its normal arrow shape or move the pointer to a different part of the Screen so that its shape changes automatically The table below shows the common pointer shapes and their meanings 29 Data Ally Chromatography Manager Operators Manual Arrow The pointer is on any of the menus inactive windows scroll bars Graph screen display SoftButtons or in areas of any dialog box which include buttons check boxes or radio buttons gt Vertical Bar The pointer is inside any text or numerical entry field into which values can be typed The position of the vertical bar before or after any already existing entry in a field box shows exactly where new entered characters will begin to be inserted Left Right Arrows Around Vertical Bar The pointer is on the edge of a table column header button and can be used to resize that column To resize hold down the left mouse button and drag the
385. ow to make using Help easier Any Help dialog box can be moved or resized in any position on the display You may wish to change the location of the Help box in order to see something it otherwise obscures underneath Any Help dialog can be minimized to an icon by clicking the down arrow minimize button at the upper right corner of the Help dialog or by using Minimize in the Application Control Menu at upper left After iconizing the Help window will remain on screen as an icon and can be redisplayed at any time by double clicking on that icon gt To close Help dialog boxes click on Files Exit in the Command Bar menu or use the Application Control Menu Close command Whenever you re open Help the Help window will retain its last size and location Note that most of the topics and entries in the Data Ally Help system are indexed with a section number reference for this Operators Manual to assist you in quickly finding the most appropriate explanation in the manual for any item you are viewing in Help 13 2 0 Marking Help Topics You can use the Help bookmark function to indicate specific reference points within the Help system to which you want to return often After a bookmark has been inserted in Help you can return instantly to that place by using the Bookmark menu in the Help window 225 Data Ally Chromatography Manager Operators Manual S To insert a bookmark at a Help topic first show the desired topic in the Help window
386. own in this dialog based on your configuration settings for this time base To use any combination of the reports shown click the Enable check boxes at left of each report Template field to checkmark those which are to be used in running and processing this Method Alternatively click to uncheck and disable those not needed Unchecking each row grays out the other items in that row which are not required once that report has been disabled For each enabled checked report row click inside the Template field and enter a template XLS filename and path or click on the adjacent right down arrow selector to see a listing of all report template files present in the current reports subdirectory Click to highlight and select the one desired If the report is to be saved as an Excel XLS file click inside the Filename field and type a unique name and path for that report To include a separate page printout of the chromatogram information with any report check the Print CG checkbox in its row Also click to check enable or uncheck disable the Print and Show boxes for each report Repeat the same steps for each different report desired for this Method When all reports are entered click OK to exit or Cancel to escape with no changes S To select the Integration program used to identify peaks for each detector input click inside the INTEGRATION field for the first active detector name and type in the desired Integration file which must exi
387. ows each of which contains a family of program windows at all times Changing time base windows by means of the time base SoftButtons makes the contents of all of the program windows in the new time base immediately accessible to the operator by clicking their respective SoftButtons Each Data Ally time base window can be minimized or iconized while it is idle or actively running Iconizing a channel window captures all its currently loaded program windows and effectively removes the time base from the current display without interfering in any activities proceeding in that time base It is possible to iconize all or several time base windows at once and to remaximize only the time base window you wish to review Whether any time base windows are iconized or not as a Microsoft Windows application Data Ally permits any other software applications to be running concurrently You cannot iconize individual program windows since each is associated with a time base window at all times However you can maximize program windows in the same manner as time base windows if you wish to see a full screen display of the information in any such window In program windows where subwindows appear on the display such as the Method Events Table Graph screen you can change the relative sizes and positions of any of the subwindows in any way you like within the space defined by the time base window 6 2 0 Files and File Manipulations The Data A
388. pa menu If you wish you can now enter peak data into the peak table either by manual entry or by automatic filling from a chromatogram loaded into the Graph window above the Peak Table see Section 8 for instructions on creating a Peak Table The spreadsheet or FILL functions can be used to edit or insert new table entries Any such entries will be saved as the default and will always appear in the peak table when the time base is initialized Therefore if you do not perform applications that nearly always use the same Peak Table information it is suggested that you leave the Peak Table blank empty in the default Integration file The Clear Integration command in the Default Integration File submenu can also be used to clear any existing entries from the Peak Table When all Integration screen and Peak Table elements are set as desired proceed with configuring the next program screen 5 2 6 4 Calibration Default Setup Click on the CALIBRATE SoftButton to display the Configuration Calibration Window Figure 5 59 75 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File Calibration default cal Name defautt cal Standard Type Curve Type n Help Graph Method IX External Def IX Linear Regression Def B Internal C Def E Linear Regression through Zero Def Integ No of Standards fi CRM d Ix Quadratic through Zero C Def Basis x Point to Point C
389. parameter s and make entries which will 62 Data Ally Chromatography Manager Operators Manual automatically appear in the default method Such entries can of course be changed manually when running the default method or when programming other methods however this is recommended only if the default method will be used for nearly all applications in this time base and common sample related information is desired for output to typical reports NOTE THAT ITEMS WHICH ARE NOT CHECKMARKED WILL NEVER APPEAR IN ANY METHOD PROGRAMS CREATED IN THIS TIME BASE In the center portion of the dialog marked correction factors are fields with check boxes which correspond to the currently enabled and available correction factors specified in the Calibration screen configuration for this time base Section 5 2 5 4 below If the factors shown are sufficient or appropriate for your applications you can enter any desired default values for any such factors If you wish to add or delete factors for this time base associated with the method files including Dilution Weight and Injection Volume click the Calib SoftButton and enable the desired factors and then return to this screen by clicking the Method SoftButton followed by the Sample button to complete your factor assignments You can click inside the respective entry fields for each type of factor and type in a default entry value which will always appear when the default method is loaded These entries can
390. peaks and or peak groups identified by individual RTs Automatic filling of retention times is an extremely fast and accurate means of completing even long peak tables When filling from the graph retentions will be expressed in the current time units shown in the graph window min sec The AutoFill Duplicate mode is available for the PEAKNAME WINDOW CAL and COMMENT columns Increment mode can be used with the RT and WINDOW columns You can choose various combinations of options in the AutoFill dialog as described below to accomplish the following tasks click on OK after setting up the Fill dialog as directed To fill an existing row s value into all currently empty rows in the column up to the next entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Duplicate Current Cell and To Next Entry with all other fields and options blank off If the basis row is the first row in the column you can select Start of Table instead of Current Cell without highlighting the basis row S To fill an existing row s value into all currently empty rows in the entire column place the edit highlight on the basis row click FILL to see the AutoFill dialog select Duplicate Current Cell and End of Table with all other fields and options blank off 2 To fill an existing row s value into more or less empty rows than the number of empty rows found in the current column up to the next ent
391. peaks decreases since slopes are averaged over larger ranges of signal values The default range for slope interval is 1 to 100 points Slope interval can also be expressed in time units sec or min if desired Baseline Drift The maximum positive or negative slope possible for baseline drawn under single peaks or groups of co eluting peaks Figure 9 4 Baseline drift is often used to limit the integrator in situations where valley to valley baselines might be drawn for a series of peaks in order to force a flatter overall baseline The default range for baseline drift is zero to 1 000 000 microvolts sec or zero to 1 Volt sec As baseline drift value decreases flatter more horizontal baselines are forced underneath regions of co eluting peaks EIETDIENGUTGZEIUITIEDFESFENUITI Baseline drift se drawing baseline a lower value wil E o 24 65 25 50 26 35 27 20 28 05 23 90 29 75 30 60 31 45 Minutes WLI 987 571 pdf Figure 9 4 Use of Baseline Drift Parameter Noise Reject The noise reject parameter is not functional in v 1 00 Minimum Height The height threshold which must be exceeded for any peak to be detected The default range for minimum height is zero no threshold to 1 000 000 microvolts This threshold value is expressed as the height of each peak above the apparent baseline If its value is set at zero all peaks of any height can be detected and reported Data Ally Chromatography Manager Operators Manual
392. ple Number 81 Data Ally Chromatography Manager Operators Manual Click on as many items as you wish to include in the table to highlight them disable all unwanted items by un highlighting them and click OK when finished to redraw the table You can now proceed to set new titles and colors for any or all of the column header buttons using the Button Edit Pop up tools and to reorder the columns if you wish using the drag and drop tool You can also change the colors and titles of the spreadsheet function buttons CUT COPY PASTE FILL INS DEL CALIB beneath the Reference and Data Tables using the Button Edit Pop up accessed with the RIGHT mouse button Within each group of these buttons you can also use the drag and drop tools to reorder the individual buttons If you wish you can now load one or more chromatograms integrate them in the Graph window and use them to create a default calibration data table for one or more peaks See Section 9 below for a detailed description of how calibrations are performed You can use the Clear Calibration command in the Default Calibration File submenu to remove all existing entries from the Reference or Data tables at any time The Calibration defaults should now be completely configured click on OK to leave the Calibration defaults screen 5 2 6 5 Sequence Default Screen Setup Click on the SEQUENCE SoftButton to view the Configuration Sequence Window Figure 5 67 This screen configures
393. plicate Start of Table End of Table and Allow Progressions with all other fields and options blank off S To overwrite existing values along with any blank rows with duplicated values in an entire column place the edit highlight on the basis row for copying click FILL to see the AutoFill dialog select Duplicate Current Cell and End of Table and check the Allow Overwrites command with all other fields and options blank off S To clear remove existing values in an entire column insert a blank row at the beginning of the table place the edit highlight on that row click FILL to see the AutoFill dialog select Duplicate Current Cell and End of Table and check the Allow Overwrites command S To overwrite existing values in a portion of a column with a duplicated value place the edit highlight on the basis row for copying click FILL to see the AutoFill dialog select Duplicate Current Cell End of Table and Allow Overwrites and enter a No of Steps value corresponding to the number of existing rows to be filled with duplicates All other fields and options should be blank off If the number of steps exceeds the number of blank rows in the column the Allow Insertions box must be checked to add sufficient rows to meet the No of Steps criteria S To clear remove existing values in a portion of a column insert a blank row at the beginning of the range to be cleared or remove an existi
394. ppear in the filename field of the File Export Dialog This file will be scanned requiring a few seconds and when the scan is finished the number of data points minimum and maximum signal values and maximum signal delta value difference between highest and lowest point values will be computed and will appear in their respective boxes You can scan through the file on a point by point basis by clicking the Next Point button at the bottom each time this is clicked the next data point in the file beginning with the first point will be scanned individually and data describing that point will appear instantly in the fields in the upper right portion of the dialog Click on the Do All Points button to repeat the scan of the entire file You can click the STOP button at any time to immediately halt the scanning process 221 Data Ally Chromatography Manager Operators Manual To convert to ASCII format click the radio button marked ASCII at lower right and then click the Do All Points button The file will be reprocessed point by point and resaved as a new file in ASCII format with the same name in the same directory path this file will no longer be readable as a Data Ally pdf binary file However you can reconvert to Data Ally binary format by selecting an ASCII format file and choosing the radio button marked Binary then repeating the Do All Points command to rescan and reformat the file 12 2 0 Configure The Configure command in Util
395. previous file has been edited and has not been saved or resaved an information message will appear before the new file is loaded asking if the previous file should be saved If so click on YES and assign either the same filename or a new name as desired If you do not wish to save the edited file click on NO to proceed When a new file is loaded it will overwrite the previous Integration file To reload the default Integration file programmed during Configuration use the Load Default command in the Files submenu This default file can have a complete Peak Table for a default chromatogram if desired loading it will overwrite any other Integration file currently present in the time base The default file can be modified at any time for manual operation but can only be permanently changed in Configuration Mode Section 5 2 5 3 9 3 2 Clearing Integration Peak Table Rather than deleting all lines in an existing peak table when creating a new table a Clear function is provided to remove all existing values from the current table gt To clear the current Integration Peak Table click on File in the Command Menu bar and then click on Clear Then click on Clear Peak Table Figure 9 9 The Peak Table will be emptied If the previous file has been edited and has not been saved or resaved an information message will appear before this file is cleared asking if the previous file should be saved If so click on YES and assign either the same fil
396. propriate SoftButtons on the left screen Each time base window contains one or more program windows e Program windows correspond to different sections of the Data Ally program which is running in the time base being observed in the current time base window Once inside a time base window individual program windows are selected using the blue SoftButtons along the left edge of the screen In certain cases it is possible to view more than one program window at a time on a single screen All windows of both types have some common features e Title Bar The top colored bar on the window displays the name of the Data Ally time base if a time base window or the name of the program window type if a program window Other information such as loaded chromatogram or file name in program windows or the running mode indicator in a time base window may also be found in the title bar e Application Control Menu The horizontal bar symbol inside the button at the top left corner of all time base windows displays a menu for sizing and moving the time base window or switching to other applications e Program Control Menu The horizontal bar symbol inside the button at the top left corner of all program windows displays a menu for sizing moving or splitting the program window e Maximize Button The Maximize button upward arrow at the top right of each time base and program window causes either the time base or program window to fill the scre
397. pump gradient traces using the Display Pump Traces command see Section 7 6 3 below Monitor Multiple Time Bases If the Data Ally system is configured with two time bases you can use the MONITOR button in the lower right corner of the GRAPH window to split the main GRAPH window into two panes each of which shows one of the two active time bases This feature allows simultaneous monitoring of active detector inputs or other information from more than one time base see Section 7 6 5 below for more information If Method parameters such as pump gradient profiles are present in the current Method s Events Table a set of small identifier icons for each such parameter will appear along the left edge of the graph window Each of these icons will consist of a label describing its meaning e g A and a color code showing the color and style of the plot trace used to show that parameter The Display Traces commands Section 7 7 3 below determine whether or not each parameter s trace is actually plotted and shown in the current Graph Window 7 1 3 Graph Command Menu Bar The Graph screen Menu Bar commands Files Edit Math Display View and Print control most of Data Ally s chromatogram file display manipulation and editing functions Figure 7 6 Each has its own corresponding pulldown menu activated by clicking the left mouse button with the pointer on the desired command 104 HPLC1 lt lt Ready gt gt File Edit Math Display Vie
398. r Enables zoom center zooming mode instead of the normal rubber band zooming Clicking on the Zoom Center command to check it causes a double click of the left mouse button within the current Graph window to zoom the display in that window by preset factors for both the signal and time axes Zooming is always centered on the current mouse cursor position Zoom Center is convenient for repeated zooming at specific points since it requires only one click rather than a rubber banded definition of an area to zoom and allows the cursor to remain fixed during zooming gt To enable Zoom Center in addition to rubber banding zoom click on Zoom Center to see the subcommands Enable and Set Zoom Scale Factors Figure 7 29 Click on Enable to activate zoom center When Enable is checked a left double click anywhere in the Graph window will cause the display to be zoomed around that point Clicking the right mouse button will cause unzooming by the same factor HPLC1 lt lt Ready gt gt it Math Display BUTS Zoom Box EPEE Zoom Center Enable Zoom Center Scaling Set Zoom Scale Factors Millivolts 13 118 7 Figure 7 29 Zoom Center Commands To disable Zoom Center click on the Zoom Center command again to uncheck it gt To set the zoom center expansion factors click on Set Zoom Scale Factors A dialog box will appear Figure 7 30 Click inside the Horizontal or Vertical axis fields and enter 124 Da
399. r commands These are Detector Command Where x Meaning ZEROx 0 5 10 50 100 Zero to preset mv level RESPx 0 1 2 Fast Standard Slow RANGEx 0 13 In the UV Vis column enter the required Wavelength for detection for a UV detector Fluorescence detectors have a Em Wvlgth and Ex Wvingth column for programming emission and excitation wavelengths If a wavelength change is required during the run enter the time for the next step and repeat step Repeat until the required commands are complete 15 3 3 Controlling the Antec Decade Electrochemical Detector Both Pulse and DC modes are supported e The detector is connected to SER1 on the PCP via a multi colored cable to the RS232 port on the rear of the unit e Check the Decade EPROM version for RS232 support option See the Decade manuals for details Contact your Decade dealer if you do not already have the RS232 support option installed e The Decade Detector must be placed in the RS232 mode by pressing the F5 key on the Decade front panel e The Decade may be run in DC Mode or Pulse Mode The choice of mode is made in Data Ally System Configuration and may only be changed if Data Ally is re started Since most applications require only one mode the decision on which mode to use may be made at installation after which time it will remain the same The control of the detector is made through the Method Screen Events Table in which a number of dedicated columns are displayed In order
400. r right arrow keys As many characters as are necessary can be typed into any entry field regardless of the physical size of the entry box All Data Ally entry fields as well as all table cells can be made to show either a listing of all possible entry values for each particular field or an instructional message regarding the type of entry that can be made To see the menu listing for any entry field click the cursor anywhere inside that field with the left mouse button and then click the RIGHT mouse button a pop up menu will appear listing all selections possible for that field To select one of the entry options highlight that option with the pointer and click on it with the left button this will cause the selected value to appear in the field replacing any previous value For fields in which filenames must be entered clicking the right button in this manner will display the normal Files Load dialog for the type of file required for that field which can then be used to select a file in the normal manner In Data Ally dialog box entry fields it is usually necessary to move the entry point out of a field into which an entry or modification has just been made in order for that entry or modification to be recognized by the system As a rule it is advisable to always click the mouse pointer inside at least one other entry field in each dialog after making or editing entries to assure that all the new entries will be accepted before clo
401. r to automatically compute and fill in table values It works in a manner identical to that of the FILL function for the Method Events Table 169 Data Ally Chromatography Manager Operators Manual 9 2 3 1 FILL Function The FILL button operates in exactly the same manner as in the Method Events Table and all other Data Ally tables Auto Fill Table Column y Operation e e C Increment C Fill From Graph 3 Cancel Starting Row Ending Row C Specify C Specify 7 C Current Cell C Up To Next Entry Start of Table End of Table B Options Step Value First Time ooo min No of Steps Last Time min Allow insertions Allow progressions Allow overwrites Figure 9 6 Automatically Filling Retention Times The AutoFill dialog box Figure 9 6 which defines all fill functions is the same dialog as used to fill columns in the Method Calibration and Sequence screens see Section 8 3 3 above for a complete explanation of all terminology After using the automatic fill function you can make any desired changes in any of the filled retention times before saving the Integration program and its Peak Table In the Peak Table the Fill From Graph function applies only to automatic filling of the RT column with current chromatogram retention times In order to use this function a valid integration must already have been completed on the foreground chromatogram in the active Graph window with all desired
402. ram in the Graph Window When all the desired attributes are set click on OK or on Cancel to use the previous settings See Section 7 6 1 below for a more detailed explanation of the various attribute functions Note that regardless of your settings you will have complete access to changing any attributes at any time in the Data Ally software after configuration is completed Now click the Colors command in the Graph Display submenu to see the default colors setup dialog Figure 5 24 This dialog selects the display colors associated with the default method 50 Data Ally Chromatography Manager Operators Manual Trace Colors ro dues eco _ rGrid Colors Fill Colors Axis Above CG Below CG Background a CG Above Baseline Attribute Colors Baseline Zone Codes aM Peak Info Figure 5 24 Setting Default Display Colors To change any of the colors click the left mouse button with the pointer inside the color box corresponding to the parameter or detector trace you wish to reset The series of color boxes at the top left marked Trace Colors will correspond to the detector inputs you have just specified for this time base as you configured system components and inputs Grid colors correspond to background colors for the Graph window Fill colors to chromatogram filling and Attribute colors to baseline and peak descriptors HPLC1 lt lt Configure gt gt File E
403. rammed through the ANAL 1 to ANAL 4 columns in the Events Table The DC mode of operation is set through the system configuration The possible commands are MV Sets the analytical cell potential Command Where x Effect MVx 2000 to Sets 2000mV 2000 any integer between Sets 2000mV 250 Data Ally Chromatography Manager Operators Manual CU Sets the full scale current Command Where x Effect CUx 0 100pA 1 200pA 2 500pA 3 1nA 4 2nA 5 5nA 6 10nA 7 20nA 8 50nA 9 100nA 10 200nA 11 500nA 12 1 pA 13 2 pA 14 5 uA 15 10 pA 16 20 uA 17 50 pA 18 100 uA FILTER Sets the filter time constant Command Where x Effect FILTERx 0 0 2sec 1 0 5sec 2 1 0sec 3 2 0sec 4 5 0sec 5 10 0sec OFF OFFx Sets the channel offset in Command Where x Effect 100 to Sets 100 100 and any integer between sets 100 251 Data Ally Chromatography Manager Operators Manual 15 3 4 5 Analytical Cell Commands Pulse Mode In Pulse Mode Analytical Cell commands are programmed through the ANAL 1 column in the Events Table The Pulse mode of operation is set through the system configuration The Possible Commands are PMV Sets the analytical pulse potential E1 Command Where x Effect PMVx 2000 to Sets 2000mV 2000 any integer between Sets 2000mV PMS Sets the analytical pulse duration T1 Command Where x Effect PMSx 100 to Sets 100msec 1000 any integer between Sets 1000msec PACQ Sets
404. ration program file is specified for a Method when more than one detector input is active the same Integration file will be used for automatic integration of all chromatograms from all inputs acquired with that Method 162 Data Ally Chromatography Manager Operators Manual 9 1 2 3 Zone Codes Zone Codes can be used to create time dependent modifications in the way the integration algorithm is applied for any specified Method or chromatogram Any combination of Zone Codes can be placed into a Method Events Table for automatic execution in any chromatogram produced using that Method Alternatively Zone Codes can be manually inserted into chromatograms at any time The can be incorporated into a Method manually or by using the Fill From Graph function Section 8 3 2 for automatic application to any chromatogram run using the Method Each time zone codes are applied and utilized during integration they are included with the chromatogram raw data and other baseline information if the chromatogram is saved or resaved after processing A list of all available Zone Codes is as follows e Negative Peaks Enables integration of negative peaks with areas below baseline in time window until next instance of code is found All peaks reported with negative areas below baseline will be marked to indicate this e Integrate Off Reset First code earliest defeats integration until second code is encountered A Reset code enables Integration when it fo
405. rators Manual 8 0 Programming and Executing Runs The Method Screen The Data Ally Method program screen manages the definition setup and execution of chromatography runs performed with the analytical instruments connected to each time base You can view the current Method by clicking the left mouse button on the METHOD SoftButton on the left side of the screen at any time 8 1 0 Method Functions A Method determines the following parameters e The active detector signal inputs and their respective sampling rates e The duration time for the run e The path and filename for the chromatogram corresponding to each active input if such files are to be saved e The Integration Peak Identification program which is to be used to process each chromatogram for peak finding and generation of result reports e The Calibration program which is to be used to perform or update a calibration or to compute results e Anyinformation pertinent to the sample being injected including correction factors internal standard amounts name number and other descriptive items e Timed control of relays or contact closures required for system operation e Timed control of pumps GCs detectors fraction collectors or any other programmable instruments In other words every procedural aspect of a run is controlled by the information in a Method The Method program consists of and is displayed in two portions a top level dialog box containing glob
406. rdless of what other Methods are saved and or loaded in the current time base 8 5 2 Clearing Methods The Clear command allows all entries from the Method Events Table to be cleared in one step Global parameters in the top level Method dialog must be individually deleted gt To clear the current Method Events Table click on File in the Command Menu bar and then click on Clear A trap message will appear asking you to confirm the clear Figure 8 10 Click OK and the Events Table will be cleared If the previous file has been edited and has not been saved or resaved an information message will appear before the table is cleared asking if the previous file should be saved If so click on YES and assign either the same filename or a new name as desired If you do not wish to save the edited file click on NO to proceed 155 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt File Load Method Method default met read only Load Default default met ETE Method Description Clear Method Clear Events Table b x Uv Vis Ix ECD Save Method As Print Method Figure 8 10 Clearing Method Events Table 8 5 3 Saving Methods S To save a Method file click on Files in the Command Menu bar and then click on Save The Method will be resaved under its current name A new version number will be assigned and the date time of save and current operator name will be recorded 2 To s
407. re sseseeseeeeeeeeeeeeeeeeen nennen eene ener trennen 257 1621 0 System Log Ond uec te RO Brem a d erit diee niue tien Gres ee e Saban se 257 16 2 0 Adding Usets 3 nc RU Ge IRA GR AT be tid 257 16 2 2 Setting Users Role nme e EPOD deese eio eel eee Beale 259 Access Rol s uec eU o ODORE pdt pne poem 260 17 Installation and Routine Troubleshooting essere enne ennt nennen eren enne 262 17 1 0 Serial Mismatch Errors tit beret ere o ERE HE EO RU ee ete per E ERE a Eee tien 262 17 1 2 Other Startup Error Messages isrener ras er a nennen eene ISEE ep aiea ERSS 263 17 1 3 Errors During Data Ally Operation enne nennen nennen 263 Data Ally Chromatography Manager User s Manual Figures Figure 3 2 Data Ally Application Group and Icon in Windows Program Manager eee 19 Figure 3 8 Exiting Data Ally In Utilities Screen cee ceecceecesecesecesecesecsaecseecseeeeseaeseeeeeseseeeeseenseeaeenaa 19 Figure 4 1 Command Menu Bar for Graph Screen seen nre nennen enne 21 Figure 4 2 Pull Down Display Menu for Graph Screen sese 21 Figure 4 3 Files Load Dialog Box for Graph Screen nennen nennen rennen 22 Figure 4 4 Control Application Menu for Graph Screen Window sess 24 Figure 4 5 Maximize and Minimize Buttons for Time Base top and Program Windows 27 Figure 4 6 Graph Screen Program Control Menu cece cee
408. real time to help the operator judge baseline level and stability even though the signal data are not being saved during such periods because the system timer is not running 11 4 1 Modifying a Sequence While Executing Like all other Data Ally tables it is possible to modify a running Sequence Table while the Sequence is executing You can use the INSERT DELETE COPY PASTE and CUT commands to add new rows or delete existing rows change command settings for any row or even use the FILL functions as described above to complete programming of new rows The only limitation to on line changes in the Table is that only those lines which have not yet been executed can be modified One very convenient tool for on line Sequence changes is the ENABLE column which can be employed to quickly disable selected groups of vials without rewriting the Table If the Reprocess mode is in use you will observe each chromatogram loaded from disk using the filename s in the selected Method s in any Graph window as it is redrawn and integrated In Browse mode the reprocessing operations will be on a stepwise basis after starting The first chromatogram will be displayed and integrated with the currently referenced Integration and the results will be shown in all Graph window When all steps are complete for the programmed reprocessing of the first chromatogram file the next will be loaded and these steps repeated and so on 11 5 0 Working with Sequence Files
409. regardless of its computed value to force the curve through the origin It is advisable to evaluate the true responses of low concentration standards before using the LO option in order to avoid inappropriate alterations of unknown results With either L or LO curve fits the Calibration Plot will always draw the plotted theoretical response curve from the concentration intercept value through the maximum standard concentration basis value found in the Calibration Point Table 10 3 1 3 Multiple Level Calibration Quadratic Regression If quadratic polynomial regression fitting is selected the existing standards will be used to determine the coefficients which best fit the polynomial curve Corrected Concentration KA Basis KB Basis KC where KA n ZB 2 ZB2C ZB C ZB EB4 EC2 EB B C EB ZB C ZB C9 EB2 n ZB 2 ZB 2B 2 2B ZB 2 B B ZB EB KB n ZB C EB ZB 2 ZB2C EB ZB ZB2C C2 EB 4 EBe ZC 2 ZB 2 ZB2 ZBxCx n ZB 2 2B ZB 2 EB ZB ZB B B EB KC C2 EB 2 ZB XB2y EB C4 EB2 EB ZB ZB 4 EB2Cx EB ZB EB2 n ZB 2 ZB 2B 2 B ZBA ZB B ZB EB 192 Data Ally Chromatography Manager Operators Manual After determining the corrected concentration for any unknown peak from the standard curve its actual concentration is computed fro
410. ret nren trennen 142 Figure 8 4 Result Files Definition Fields esee etre enne enne tene trennen nenne 142 Figure 8 5 Report Set Dialog eite eerte ri e ee ter Spei i D Re rp e EL debtor tree gent sees 143 Figure 8 6 Method Events Table eee ERR Ur e eee utere iba dist t o tees eee 144 Figure 8 7 AutoFill Dialog for Events Table Time Column essere nene 149 Figure 8 8 Method Files Commands Submenu sess eren tennneennren ees 154 Figure 8 9 Method Files Load Dialog tee oerte ete e eiecti tine PSOE oS 155 Figure 8 10 Clearing Method Events Table ene enne eene trennen rennen 156 Figure 8 11 Method File SaveAs Dialog eese nennen eene enne enne ener nenene trennen trennen 156 Figure 8 12 Reporting Status Window seen nennen nene enne tnne tenete tenerent trennen 157 Figure 9 1 Top Level Integration Screen een nennen enne tnter etre trennen trennen 158 Figure 9 2 Integration Algorithm Parameter Fields esseeeeeeeeeeeeeenee nennen nennen 159 Figure 9 3 Use of Slope Sensitivity Parameter sess rennen entren 160 Figure 9 4 Use of Baseline Drift Parameter sess ener neen tren nennen enne 160 Figure 9 5 Integration Peak Table Window sese enne nennt trennen nen 166 Figure 9 6 Automatically Filling Retention Times esee nennen eene nennen 170 Figure 9 7 Integra
411. ria Alternatively you can fill a range of blank rows in any column from the edit highlight cell up to the next entry in that column by using the Fill From Method Current Cell and To Next Entry commands leaving all other fields and options blank off 11 4 0 Running a Sequence A properly programmed Sequence can be started simply by clicking on the RUN SoftButton at lower left while the Sequence screen is in the active window This will cause the first Method in the Table to be loaded along with its referenced Integration and Calibration files if any and will start that Method s execution Any specific file references programmed in the Sequence table for that row will be used in place of those specified in the Method if different After the first Method is complete the second row Method will be loaded and executed and all other rows in the Table processed in turn The Sequence can be aborted at any time by clicking on the STOP RUN SoftButton If a Sequence is aborted before completion it can be restarted at the Table row where the termination step occurred by double clicking the ENABLE column cells in all the rows for which execution was completed to disable them and then restarting the Sequence by clicking RUN As the Sequence runs the table will be indexed upward so that the currently in process row highlighted which corresponds to the currently running Method injection always appears two lines from the top of the table window
412. ries of METH entries to define the length of the Sequence table one line row per sample Other information can then be entered using fill functions or via manual entries 210 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt BA File Sequence defaultseqireadonyl A Process Mode iti Reports Options IX Validate Graph Method ngg Operation Integ ei ite C Increment OK Starting Row Ending Row Cancel Sequence C Specify C Specify me Calib C Current Cell Up To Next Entry Sunes Start of Table End of Table HPLC1 aR Re eee Options HPLCI Step Value First Time min Edit No of Steps Last Time min UL T Allow insertions Allow progressions T Allow overwrites E E3 E E C run Lc cory reste BMT rn fins I bet i Figure 11 2 Auto Filling the METH Column The following AutoFill operations can be performed for the Sequence table S To fill an existing row s value into all currently empty rows in the column up to the next entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Duplicate Current Cell and To Next Entry with all other fields and options blank off If the basis row is the first row in the column you can select Start of Table instead of Current Cell without highlighting the basis row S To fill an existing row s
413. rity RRT Suit Calib n mime EeskoName min 35719 Code Code E Utilities TB1 Timehase TB1 Amm e mecH ae Rei au o fn Figure 15 6 Integration Peak Table with Peak Spectra Column 15 4 1 4 Setting the Number of Real Time Single Wavelength Channels The number of individual wavelength channels may be set between one and four channels by enabling the desired channels in the top level method screen See Figure 15 7 TB1 lt lt Ready gt gt Administrator adi a File Method default met read only Run Detectors Wavelength 1 avelen Graph Duration 5 min IX WL A 220 nm Ix wL B 250 nm Method Scan Lower Upper Interval Fe WLC 260 jam Integ 200 nm 360 nm fo nm Ix WED 300 nm Results Sequence Filename WLA aa n WL B bb WLC cc Utilities WL D dd TBi imebase 1 Edit Run Events Table Table Figure 15 7 Top Level Method Screen for PDA with four individual channels available 15 5 LabAlliance Model 506 or Linear 206 UV Vis Control Installation Instructions Data Ally Software Installation 1 Install the 3 disk set as usual 2 Verify that the wcesccdrv 386 file is in the Data Ally directory 255 Data Ally Chromatography Manager Operators Manual 3 Add the following lines to the 386Enh section of the Windows System Ini file device c data ally wcsccdrv 386 WCSCInBufLen 265535 WCSCOutBufLen 1024 WCSCMaxPorts 10 4
414. rks or comments describing each step in the table as an aid to later understanding of how and why the table was created S To enter text into the COMMENTS column click inside the column and type the desired entry or edit the previous entry Other columns may be added to the Events Table as required for certain special instrument control interfaces such as electrochemical detectors as in Figure 8 6 8 3 3 Entering Events Table Parameters There are three ways to enter values for any parameter into the Events Table 1 Move the pointer into any cell in the table and click so that the highlight and the vertical bar entry cursor are moved into that cell Then type any desired entry into the cell directly or if appropriate click on the right arrow button to view a listing of all possible entries from which the desired item can be chosen To move to any other cell either point to a different cell and click the left mouse button or press the ENTER key to move the highlight from cell to cell left to right and then downward row by row until the desired cell is reached 2 Copy information from an already entered row into a new row using the COPY and PASTE commands To copy a row move the pointer to the row to be copied and click the left button to place the highlight in that row Click on the COPY button to make a copy of the highlighted row Now move the pointer to the row just below where you want to insert the copied row and click any
415. rmally autoscaled so that the scaling in both axes represents the range between zero and the maximum actual response and concentration values logged into the Calibration table If no data are present in the Calibration table i e no standards have actually been run yet the scaling of the plot window represents the full range of the calibration levels defined in the Reference Peak Table Each time you change the Fit type Basis standardization type external or internal or other relevant criteria defined in the Reference Table for any peak the Plot will immediately be modified and replotted accordingly You can use this feature to graphically and quickly test the effects of for example changing a curve fit for any peak or deleting certain standard points from a calibration curve as a trial It is possible to use rubber band zooming in the Plot Window to see an expanded view of the plotted information This is done in exactly the same manner as normal zooming in the Graph windows Zooming is useful to get a clearer view of regions in which several replicate points may be nearly overlapping S To execute a zoom inside the calibration plot move the pointer cursor to the position in the plot where you want the zoomed view to begin hold down the left mouse button and rubber band the desired view when the dotted line on the plot shows this view release the mouse button and the new view will be drawn You can zoom repeatedly as many times as you
416. rmation is passed from the Data Ally software to Excel via Direct Data Exchange DDE and Visual Basic for Applications VBA functions Desired information fields and records are placed into positions on a report worksheet contained in an Excel XLS workbook file called a template by Data Ally residing in a subdirectory under REPORTS Any number of template XLS files can be reviewed and edited for use in reporting with Data Ally Each time the Data Ally software is initialized a copy of Excel is also automatically loaded so that Excel is available for creating any run calibration or program summary reports whenever these are desired Excel generates each report from the information in Data Ally and actually manages the display and or printing of the report supplying such functions as print preview and view expansion The Data Ally data system should not be running however when modifying or creating new templates 14 1 0 Using Excel to Review and Edit Report Templates Microsoft Excel is generally loaded from its own directory on the computer s hard drive It can be accessed while the Data Ally software is running via Windows Program Manager directly or through File Manager 14 1 1 Loading Excel To load Excel from Program Manager activate the Program Manager window and select the Excel program icon from its own application window or from an Applications icon group depending upon how it has been installed Double click with the left
417. ro Cell on etc Guard Sends commands which effect only the guard cell e g Potential setting Anal 1 4 Send commands to each of 4 possible analytical electrodes Note Only one command may be input on a single time line of the Events Table for the Coulochem If multiple events are programmed on a single line the detector may not be able to accept all of the necessary codes sent to it 15 3 4 2 Global Coulochem Commands Global commands are programmed through the EC Cmd column in the Events Table Global commands may be used in both DC and Pulse detector modes The possible commands are CELL Switches Analytical Cells in or out Signals may only be measured when cells are placed in Command Where x Effect CELLx 0 Cells Out 1 Cells In LOCAL Returns detector to local control Once in local mode the detector cannot be returned to remote control except through the front panel Command Effect LOCAL Return to local ZERO Sends an Autozero command to detector No other commands will be accepted by the detector during Autozero Command Effect ZERO Sends Autozero RDCx Sends a run command to the detector using the currently defined DC parameters This command must be sent after all cell parameters have been set NOTE Failure to send and RDC will result in the detector not running correctly Command Where x Effect RDCO Puts detector into run 15 3 4 3 Analytical Cell Commands DC Mode Analytical Cell commands are prog
418. roperties Button Make sure the IRQ radio button is selected and you will see the listing for those that exist G Lit Manuals Data Ally W95 DAIRQ DOC Computer Properties i2 x View Resources Reserve Resources C Direct memory access DMA C Memory Hardware using the setting System timer Standard 101 102 Key or Microsoft Natural Keyboard Programmable interrupt controller Communications Port COM2 Communications Port COM1 Standard Bus Adapter Mouse Standard Floppy Disk Controller System CMOS real time clock m c Next Click on the Reserve Resources Tab at the top Click on the Add button and type in 10 with out the quotes Repeat and Add 11 Then click OK and close up all the dialogs Re boot the computer When you re boot Windows 95 will reassign any devices that are using the reserved IRQs thus freeing them up for use with Our ISA Card Reserving IRQs for ISA Legacy Cards in the CMOS BIOS Setup Utility 1 You must enter the Setup Utility during the boot up process when your computer is first powered up or reset Usually this is done by pressing the Delete Key quickly when the message appears on the screen Some computers may require a different Key press in order to enter the Setup program Most all will post a message on the screen during boot up informing you as to what key press will invoke the Setup Utility Once you have entered the Setup Utility you usually must proceed to th
419. round by direct drag and drop and their individual widths can easily be modified Any entry in any table column can be modified by pointing to that cell entry clicking the left mouse button to move the Edit cell highlight and vertical bar cursor inside that cell entry and typing in the new entry or change Double clicking with the pointer inside any cell will cause the existing entry in that cell to be completely cleared as soon as any new character is typed All table cells with predefined sets of allowed entries can be edited by first clicking inside the desired cell with the left mouse button and then clicking the RIGHT mouse button to see a pop up listing of all possible entries Highlight the desired entry and click it with the left mouse button to place it in the cell this will overwrite any previous value found in that cell If a table cell does not have completely predefined entries such as PeakName column in the Peak Table a message will appear if the right button is clicked on that cell advising you of the type of entry that is required 4 4 1 Moving Around in Tables Whenever you make any Data Ally table window active by clicking inside it a blue highlight appears around all four edges of the upper left cell of the table called the Edit cell This highlight can be moved around the table in any direction to select any cell for making an entry or to select a column or row for other operations 3l Data Ally Chromatograp
420. row at either end of a bar to move the display in small increments or you can click on top of the slider button inside each scroll bar and drag it across the bar while holding down the left mouse button Also clicking the left button with the pointer anywhere in the bar will cause the scrolling to jump to that new position e Help Message Most Data Ally screens have in addition to the built in HELP functions a short help message area to the right of the Command Menu bar This area will usually contain a brief phrase describing the current feature selected or the state of the system 4 2 1 Switching Between Windows S To switch from the current Data Ally time base window to see the current status of other time bases in the software click on the SoftButton corresponding to the desired time base Each time you change to a view of a new time base window you will see the last program window which was viewed in that time base in the exact state in which it was left when the time base was switched It is also possible to switch directly to a different time base window or to a different program running in Windows by selecting the Switch To command in any channel window s Application Control Menu and then choosing the name of the desired Data Ally time base or program from the resulting listing A third way to switch between various running windows is to press Alt Tab simultaneously which will cause an immediate jump to the last open pro
421. rwritten with the current contents of the Sequence screen To save a modified Sequence under a new name click on Save As in the Files menu The Save As dialog box will appear Figure 11 7 Click inside the filename entry field and type in the desired new filename If you wish click inside the DESCRIPTION field and type a description of the new file which may help identify this file in the directory listing for future recall When the correct name and description appear click on OK to save the file to the current disk path If another file already exists in that path with the same name an error message will instruct you to change the filename before saving HPLC1 lt lt Ready gt gt al Senuenre default sen Iread nnlwl mm SAVE SEQUENCE FILE File To Save c pyramid default seq Save As File Name Directories coon T Ges E gt pyramid anticon5 catechol C3 Imws C3 orgacids C3 pdf List Files of Type Drives M Sequence Files seq c ms dos 5 B Description i This is a description 1 Figure 11 7 Sequence Files Save As Dialog It is recommended that Sequence program files saved to disk be backed up by copying the SEQ files to a floppy disk removable hard disk or tape and preserving the copies in a secure place If modifications are routinely made to the library of SEQ files backups should occur at routine intervals or even on a daily basis You can enter a text description for the current Sequence
422. ry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Duplicate Current Cell and To Next Entry Type the actual number of empty rows to be filled into the No of Steps column with all other fields and options blank off If the 170 Data Ally Chromatography Manager Operators Manual No of Steps value exceeds the number of actual intervening empty rows sufficient new rows will be added and filled to meet the No of Steps criteria To fill all currently empty series of consecutive rows in the column with the values found in the rows prior to each empty group of rows click FILL to see the AutoFill dialog select Duplicate Start of Table End of Table and Allow Progressions with all other fields and options blank off S To overwrite existing values along with any blank rows with duplicated values in an entire column place the edit highlight on the basis row for copying click FILL to see the AutoFill dialog select Duplicate Current Cell and End of Table and check the Allow Overwrites command with all other fields and options blank off S To clear remove existing values in an entire column insert a blank row at the beginning of the table place the edit highlight on that row click FILL to see the AutoFill dialog select Duplicate Current Cell and End of Table and check the Allow Overwrites command S To overwrite existing values in a portion of
423. ry DDE Field Range Iseq auto Enable Iseq auto FillTime Iseq auto FlushCount Iseq auto InjectionVolume Iseq auto NeedleWash Iseq auto PreflushVolume Iseq cal Suppress Iseq int Suppress Iseq process First Iseq process Last Iseq process Mode Iseq process Validate Y N Iseq rpt Print Y N Iseq rpt Show lt Y N gt Iseq sequence Rows Iseq sum rpt Enable 1 to 2 signals Iseq sum rpt Filename 1 to 2 signals Iseq sum rpt Print 1 to 2 signals Iseq sum rpt Show 1 to 2 signals Iseq sum rpt Template 1 to 2 signals Templates Using This Field Seq Seq Seq Seq Seq Seq Seq For Tables DDE names referring to fields stored in Sequence file tables cal Iseq sequence enable Row gt Enable Iseq sequence enable Row lt gt Line No Iseq sequence table auto Fill Time Iseq sequence table auto FlushCount Iseq sequence table auto InjectionVolume Iseq sequence table cal Code Iseq sequence table cal Filename 1 Iseq sequence table cal Level Iseq sequence table cal rpt Template 1 Iseq sequence table Comment to 2 signals to 2 signals Seq Seq Seq Seq Seq Seq Seq Seq 241 Data Ally Chromatography Manager Operators Manual Iseq sequence table correction Dilution Seq Iseq sequence table correction InjectionVolume Seq Iseq sequence table correction W eight Seq Iseq sequence table Injections Seq Iseq sequence table int Filename 1 to 2 signals Seq Iseq sequen
424. s The next step in Configuration is to specify the contents of each of the primary programming and display screens select which options are to be used and set all relevant defaults for variables in each screen By permitting you to customize every aspect of the user interface in this way Data Ally provides for the most perfect fit possible between the features you can see and use and the nature of your application s Each of the program screens can be configured differently for any live time base and its associated editing time base for maximum convenience and to fit your applications The only parameters which will remain constant are the time base name detector input names other instrument component names and flags You can also set names and colors for all screen elements such as buttons fields and labels which will appear in the operating software You can set up each of the screens which are normally displayed by pressing their respective SoftButtons by pressing the usual button for the desired screen The HELP SoftButton provides help during this process and the channel selector SoftButtons are inactive except for the Edit channel SoftButton which contains configure functions specific to editing 5 2 6 1 Graph Default Screen Setup Begin by clicking on the Graph SoftButton with the left mouse button to set the normal Graph display configuration The Configuration Graph window will appear Figure 5 15 HPLC1 lt lt Confi
425. s There are two Modes available for Sequences listed in the very top left of the dialog Figure 11 1 e Acquire Mode For acquiring new chromatograms from live detector inputs as specified in the Method program files associated with each line in the Table This mode is not available in any Edit Time Base e Reprocess Mode For reprocessing chromatograms already acquired in previous runs and saved to disk Reprocess loads each chromatogram file specified from a given disk location integrates and analyzes the file as instructed by the elected Method and creates reports according to the selected Integration file s Reprocess will perform the above operations as quickly as possible and in a continuous manner Reprocess mode can be accessed in both live and Edit time bases e Summarize Mode For producing tabulated Summary Reports from an entire sequence of runs which have existing integration results NOTE A Summary Report can also be automatically produced at the end of an Acquire Mode sequence by enabling the Summary Report and choosing a Summary Template via the Summary Dialog box Click on the Summary button located in the Reports sections of the top level sequence screen to display the Summary Dialog box See example of a Summary Reports dialog box below Sequence Summary Reports Enable Template Filename Print Show Rina fietsumxis H m r In B Oooo o s fa Ei Summary Reports Dialog gt To run a Sequence in any
426. s click the right mouse button to pop up the edit menu and click the left button on any other option or on End Drawing 7 3 4 3 Clearing Zone Codes S To clear Zone Codes which are already present click the right mouse button to show the edit pop up menu Figure 7 19 and click the left button on Clear Codes The Clear icon will replace the pointer cursor which can be moved with the mouse to any code Place the icon on top of the first code to be cleared and press the left mouse button to clear that code Repeat the clear process for as many codes as desired To terminate clearing of individual codes click the right mouse button to show the pop up edit menu and click on any other option or on End Drawing S To clear all Zone Codes or a range of codes rather than individual codes click on the Erase Codes function in the Define Zone Codes submenu Figure 7 18 which operates in exactly the same manner as the Erase Baseline Codes functions 7 3 4 4 Undoing Zone Codes S To undo changes in Zone Codes click the right mouse button to show the pop up edit menu Figure 7 19 and click the left button on Undo Next to the Undo command is a number indicating the number of recent changes tracked by the Editor which can be undone one at a time Click on Undo to undo the last change The counter will decrement by one each time you click Undo When finished undoing zone code changes click on any other option in the pop up menu or on End Drawing 7
427. s be present when the chromatogram is next recalled 7 3 4 Manual Zone Code Editing Data Ally allows you to enter timed integration event codes also known as Zone Codes directly into any chromatogram to adjust and influence the integration algorithm in time dependent regions as 114 Data Ally Chromatography Manager Operators Manual desired You can also use Zone Codes in the Method Events Table to automatically insert those codes into newly acquired chromatogram data files Once a Zone Code is used to influence the way a chromatogram file is integrated processed or displayed it becomes a permanent part of that file until itis changed or removed The menu of available Zone Codes is defined when setting the Integration screen defaults in Configuration Automatic insertion of zone codes in a Method is possible only if the Zone Codes column has been configured for the Events Table Zone Codes differ from baseline marker codes in that they affect the way global integrations are conducted using the integration algorithm parameters contained in the Integration program screen After changing or applying zone codes you must use the Integration command to see their effects Reintegration after changing baseline marker codes in Define Baseline mode will not be affected in any way by the presence or absence of zone codes 7 3 4 1 Placing Zone Codes gt To manually place Zone Codes in the foreground chromatogram in the Graph window click the le
428. s from the GRAPH screen menus To delete a file use ALT ESC to access Windows Program Manager select File Manager and use the Delete command to delete any desired files 7 2 1 3 Loading Chromatograms The Load command recalls a chromatogram file from disk memory into the active Graph window If several files are to be loaded into the same window the Load command must be used for each file or the files can be grouped using the Save Group command below for later recall of all the files together in one step 106 S To load a chromatogram file click the left mouse button while pointing to the Files Load command A menu of files available in the current directory will be shown with appropriate descriptions if previously entered Figure 7 9 Select the desired drive and path where the file to be loaded is saved and then select a file from the directory listing by clicking on its filename Click on the radio button corresponding to the stack register into which the file will be loaded the next open register will automatically be selected Once the desired file is selected click on OK to recall the file and load it into the current active Graph window Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt franh rAnvramifndf8R7 h71 ndf O rAnvramirdindfq87 h71 ndf LOAD CHROMATOGRAM FILE File Name Directories paf c pyramid pdf 987 571 pdt call Dis pdf manh p36 pdf p36120 m pdf
429. s may require rapid execution or even skipping of some number of programmed lines in the Events Table to catch up to the programmed state of the system for the present time Data Ally will attempt to execute all delayed rows in the Events Table as quickly as possible after a hold is cleared Normally the timer will continue to run during a hold unless the hold is generated by an Input flag such as wait for injection This is because even if you wish to temporarily stop further execution of a Method program it is important to have a valid record of overall elapsed time once the sample is on the column 8 5 0 Working with Method Files The Method program filing system permits you to save and recall complete Methods quickly and easily The Method screen display comprising both the top level dialog box and the Events Table is configured as a template to show information about the current chromatogram acquisition and processing instructions loaded into the channel being observed This template can be edited using many graphical and other tools to change its contents The contents of the Method screen display can be saved as a Method file with a unique filename and description so that it can be recalled and reused at any future time either manually or as part of an automated Sequence of Methods The default Method file whose name is assigned during Configuration is always loaded automatically into the Method display screen at the time Data
430. s or elements you will wish to control directly The normal Events Table is a split screen window with a table in its bottom portion and the Graph window visible in the top portion Figure 5 47 This arrangement permits you to actually load a chromatogram file one file only into the Graph window to assist you in properly programming the default method using all the same table editing tools normally available in Data Ally Click anywhere inside the Events Table window to make it active 67 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File Help Graph c pyramid alis60 pdf Graph Method Integ Sequence EA O U OOOO SS tcutte chint oy Events Table default met Calib E m Zone Comment Utilities HPLC1 Tirnebase HELET a Figure 5 47 Method Events Table Configuration Window Only a few columns are shown as preliminary defaults in the table including the Time column and Comment At this stage you can add or remove columns from the table you can change the sizes widths of individual columns as they are added and you can change the order of the individual columns in the table To begin you can review the available selection of column types based on the current Components configuration by placing the cursor pointer on any of the Events table column header buttons and clicking the RIGHT mouse button the table button edit pop up submenu will appear Figure 5 48
431. s to be used for time window adjustments This can be very helpful when the peaks are taking more or less time that usual to come off the column Suit Code See System Suitability section 9 1 3 for details on producing System Suitability Reports Codes are S or K IS Configurable This column identifies up to five peaks in the table as Internal Standards which can be applied to any specified peaks to correct for method and sample variations Entries in the IS column are in the form of numbers with a maximum range of 1 through 5 Only one peak component in each table can be assigned one particular IS number The IS row is left blank for peaks which are not Internal Standards gt To manually edit IS click the pointer cursor inside the desired cell to highlight it and type in the new value of IS from 1 to 5 An error message will appear if you attempt to designate an internal standard peak number which has already been assigned in the table Data Ally Chromatography Manager Operators Manual The contents of the IS column will be automatically transferred into a Calibration screen Reference Peak Table when a new Calibration file is set up Section 10 1 The identities of internal standard peaks can only be edited in the Integration Peak Table which affects all existing Calibration Reference Tables which reference a given Peak Table e CAL Configurable This column assigns which peaks rows in the table can be calibrated and on w
432. sample Description Full Ipdf sample Injection Full Ipdf sample Name Full Ipdf sample Number Full Ipdf sample Vial Ipdf seq Description Full Ipdf seq Filename Full Ipdf totals Area Full Area Ipdf totals AreaPct Area Ipdf totals Conc Full Ipdf totals ConcPct Full Ipdf totals Height Full Ipdf totals HeightPct Full For Tables DDE names referring to fields stored in PDF files pdf Proprietary DDE Field Range Templates Using This Field Ipdf results table Area Full Area RFKC Ipdf results table AreaPct Area 240 Data Ally Chromatography Manager Operators Manual Ipdf results table Coefficients 1 Ipdf results table Conc Ipdf results table ConcPct Ipdf results table Height Ipdf results table HeightPct Ipdf results table int RT Ipdf results table Name Ipdf results table Number Ipdf results table RF Ipdf results table RT Ipdf results table suit Code Ipdf results table suit begin Signal 1 Ipdf results table suit begin Time 1 Ipdf results table suit end Signal 1 Ipdf results table suit end Time 1 Ipdf results table Unit to 3 coeffs to 5 suitability cols to 5 suitability cols to 5 suitability cols to 5 suitability cols 14 4 6 Sequence DDE Names RFKC Full RFKC Full RFKC Full Full Full Area RFKC Full Area RFKC Full RFKC Full Area RFKC Full RFKC For Report Heading DDE names referring to fields stored in Sequence files cal Proprieta
433. sample Number For Tables Column heading or field label text for calibration file tables cal lview cal peaks enable Row ShortTitle lview cal peaks table Basis ShortTitle lview cal peaks table cal Mode ShortTitle lview cal peaks table Conc ShortTitle 1 to 16 lview cal peaks table Fit ShortTitle lview cal peaks table is Number ShortTitle lview cal peaks table Name ShortTitle lview cal peaks table RT ShortTitle lview cal peaks table Unit ShortTitle lview cal points enable Row ShortTitle lview cal points table cal Level ShortTitle lview cal points table correction Dilution ShortTitle lview cal points table correction InjectionVolume ShortTitle lview cal points table correction W eight ShortTitle lview cal points table int Filename ShortTitle lview cal points table is Area ShortTitle lview cal points table is Conc ShortTitle lview cal points table is Height ShortTitle lview cal points table met Filename ShortTitle lview cal points table pdf Filename ShortTitle lview cal points table process Date ShortTitle lview cal points table process Time ShortTitle lview cal points table results Area ShortTitle lview cal points table results AreaPct ShortTitle lview cal points table results Coefficients ShortTitle 1 to 3 lview cal points table results Conc ShortTitle lview cal points table results Height ShortTitle lview cal points table results HeightPct ShortTitle lview cal points table results RF ShortTitle lview cal points table results RT Short
434. sed if any If you wish to default to a specific filename for any or all detectors click inside their respective FILENAME fields and type the desired filename s up to eight characters If no filename is given for any detector input the FILENAME field will come up blank by default and you will need to enter or select a filename for each input before starting any runs using the default method If you wish to have any or all detector input signals automatically integrated at the end of your methods including the default method click the check box in front of the INTEGRATION file entry field for each such detector input to check it IF YOU DO NOT CHECK THIS BOX FOR ANY DETECTOR YOU WILL NOT BE ABLE TO DEFINE AUTOMATIC INTEGRATION AND PEAK FINDING FOR THAT INPUT AS PART OF ANY METHOD Enter an Integration program file name if desired as the default for any enabled checked INTEGRATION fields for detectors This field supplies the program filename to be used for handling the data from each detector independently in the default method If you do not enter a filename here for any detector you will need to enter such a name before actually running any Data Ally method in this time base if you want automatic analysis of that detector s data file during that method Clicking on the down arrow button at the right of this entry field will show a current listing of all available INT files which you can associate with this default method you can highligh
435. seeeeeneneeenreneenneenne enne eene nene neen trennen ne en nre 173 9 3 1 Loading Integration Files entere e Re PED REES Eno ree PIER He EEEE 173 9 32 Clearing Intesration Peak Table oo oer mee ien eon e e Eds 174 9 3 34Savmg Integration Files o Debe eem irre ient etate D ied de Eden 175 9 3 4 Deleting Integration Files eoe edet ie e de iei bett cen pe ib c bobs ders 175 9 3 5 Printing The Integration Fles enia a a e enne nennen trennen nenne ene 175 10 0 Reviewing and Editing Calibrations Calibration Screen 176 10 1 0 Calibration File D fitition c aer ire ere EE er ere Ho ae be ei eph ERREUR 176 10 2 0 The Calibration Display en ete het trt reet ertet Her ee pee here S 177 10 2 1 The Reference Peak Table eee Redeem 177 10 2 2 The Calibration Point Table terrere rerit re teer ridi EE 187 10 2 3 The Calibration Plot odo a a a rettet teta Ul ied e ees 188 10 3 0 Theory of Calibration diee ePi tede etd RE Ree be re etes ce etre dns 190 10 3 1 External Standard Calibration essere nennen enne 190 10 3 2 Internal Standard Calibration te ette ettet petere ete greet rte 193 10 4 0 Building Reviewing and Modifying Calibrations esee 196 10 3 1 Building a New Calibration Table essssssesseseeeeereneeneenee eene nenne nennen nennen 196 10 3 2 Reviewing the Calibration Point by Point essere nennen nennen rennen 197 10 3
436. sent in order to define a valid Calibration file The LEV columns represent up to sixteen different standard samples with unique or replicate concentration values to be used to calibrate each peak It is assumed that when a level is defined in the Reference Table that level refers to an actual preparation or vial of standard material which will actually include the stated concentrations for each peak component to be calibrated LEV values can be entered in any manner desired At least one LEV concentration value must be entered for at least one peak in a valid Calibration file Not every LEV column has to contain values for every peak For any given peak LEV values consecutive columns can be ascending descending mixed random or the same LEV columns can be skipped as desired for any peak As an example you can enter LEV1 50 LEV2 100 LEV3 and LEV4 blank and LEV5 20 for peak A and LEV3 400 LEV4 400 LEV5 through LEV8 blank and LEV9 400 for peak B It is important to make absolutely sure that the concentration values entered for any peak level actually represent the composition of the standard material to be injected which corresponds to that level S To enter a LEV concentration value for any peak click inside the desired peak s LEVX column cell and type in the numeric concentration value for the standard assigned to that level You can use AutoFilling to Duplicate or Increment LEV column entries as desired by clicking on the LEVX column he
437. seq sequence table pdf rpt Filename ShortTitle Seq lview seq sequence table pdf rpt Template ShortTitle Seq lview seq sequence table rpt Chromatogram ShortTitle lview seq sequence table sample Description ShortTitle Seq lview seq sequence table sample Name ShortTitle Seq lview seq sequence table sample Number ShortTitle Seq lview seq sequence table sample Vial ShortTitle 242 Data Ally Chromatography Manager Operators Manual 15 Hardware Specific Interface Information 15 1 Autosamplers 15 1 1 Marathon Autosampler by Spark Holland Three Marathon Autosampler models are currently controlled by Data Ally They are the Marathon Basic the Marathon XT and the Marathon Basic Plus The Marathon Basic does not support variable injection volume The user is advised to study the Marathon user s manual to become familiar with the operational details of the specific model in use 15 1 1 1 Working with Spark Marathon Autosamplers Data Ally provides control over the Marathon Autosampler via the Sequence mode of operation In order to control the Marathon the Marathon control must be configured in by entering the configuration mode and then adding the Marathon autosampler model to be controlled Next while still in configuration you must go to the Sequence screen and click on the Autosampler button This will open the Autosampler setup dialog box where default values can be entered if desired The Enable checkbox must be checked for aut
438. shows a graphical representation of the calibration data for each individual peak All three window sections are interactive so that changing the presentation in one window will often change the contents or display in the other windows HPLC1 lt lt Ready gt gt BA File Help poo Method Integ F Sequence i Calib n eO ration Table caltest cal Peak One Utilities H Level Conc E Int File Cg Filename m i HPLC1 1 Timebase HPLC1 3 Edit 4 TB2 Timebase Figure 10 1 Calibration Screen 10 2 1 The Reference Peak Table Every Calibration file when it is defined must establish a connection with the Peak Table in one Integration program which is used to identify peaks and set the basic calibration instructions for the 177 Data Ally Chromatography Manager Operators Manual type of chromatogram to be run with a particular Method Once a reference is entered each peak in that Peak Table marked for calibration in the Table s CAL column is transferred into the Reference Peak Table window at the upper right of the Calibration screen Figure 10 2 The referenced Integration file must either be saved to disk in some accessible directory path or it must be loaded into the current channel in order to be used properly by the Calibration file HPLC1 lt lt Ready gt gt EB Reference Table caltest cal es rPiPPrP PPP PP PPP PPP PP L L L L L L L L L L L i L L L L Sach
439. sing or executing the dialog Data Ally will verify that entries made in any entry fields fall within the ranges of values or types of values defined in Configuration to ensure that incorrect or invalid data will not corrupt system operation In some instances making an inappropriate entry will immediately display an error message advising the operator to retry in other cases an error message may not appear until some activity such as clicking the RUN button to begin a Method occurs In those fields which specify disk path names directory locations for various types of files any filename can be entered by typing the complete path name e g C Data Ally SUB1 data All normal DOS file naming rules and conventions must be followed Filenames cannot include spaces colons V or characters Any desired number of subdirectory levels and any real or virtual disk or memory device can be specified in any filename field Note that if any program file type e g Method is selected from a path other than the default path the specified path will be retained for that program file type until itis changed again or until the default path is re selected Check Boxes Check boxes are used to enable or disable certain items independently from all other items If a check box for a particular item or option in a dialog box is checked that item is selected or enabled when you exit the dialog box If the item is unchecked it is inactive or disabled To
440. ssing sequences which handle any group of data files from any source and directory Note Exclusive of the Drive and Path portion of the filename the actual filename is limited to 5 characters maximum because the right most 3 character positions will be used to construct line number injection number for each file XXXXX011 PDF for example would be the first injection from the first sequence line XXXXX021 PDF would be the first injection from sequence line number two The PDF extension is automatically added by Data Ally INT FILENAME For each configured detector input Configurable Like the CG FILENAME field this column permits Integration files to be assigned in the Sequence independently of those selected in any included Methods on a sample or row specific basis if desired This field is used to enter a path filename for integration and peak identification a separate column will be available for configuration for each detector input assigned in each time base Entries in the INT FILENAME columns will override any Integration filename entries in any Method in the same row in the Sequence table This feature provides maximum flexibility for either modifying how a Sequence will be processed without actually changing and resaving any Method files or for reprocessing a series of chromatogram files requiring vastly different integration criteria CAL FILENAME For each configured detector input Configurable As with the CG and INT FILENAME
441. st have values supplied by the operator indicating the concentrations of every Internal Standard peak Normally when running standards during calibration the Internal Standard concentrations for each standard level will be listed in the Calibration Reference Table LEV columns for each IS peak and will be employed automatically for the required calculations each time a standard is run and used to update the Calibration Point Table Alternatively the operator can key in exact values for each IS peak at each standard level manually or as part of a Method or Sequence program If all required IS peak concentration values are not supplied when running a standard those peaks which are calibrated against IS peaks lacking values will not have their current Calibration Point Tables updated If all required IS peak concentration values are not supplied when running any unknown sample those peaks calibrated against IS peaks lacking values will not be reported Components added to a sample mixture as internal standards must normally not be expected to occur in unknowns to be analyzed It is helpful if internal standard peaks are well resolved from other 193 Data Ally Chromatography Manager Operators Manual peaks so that their areas can be clearly determined in each run Use of differing Internal Standard peak concentrations is allowed for different standard levels during calibration or for different unknowns However most internal standard calibration tec
442. st on disk in the current directory path for this channel To choose from a selection of all integration program files found in the current path for this file type click the down selector arrow at right of the field a list of integration filenames in the currently selected integration program path will appear Click the desired name to enter it Repeat this selection for all other inputs which will be active in this Method chromatograms from any inputs not assigned an Integration program in this manner will not be integrated automatically The Integration file s selected will define what types of reports are created at the end of the Method S To specify automatic calibration with this Method if the sample to be run is a standard click with the pointer inside the CAL box for any active input name and type in the desired calibration Type code which can be either blank No calibration N New calibration R Replace calibration for current level or A Average into current calibration 143 Data Ally Chromatography Manager Operators Manual NOTE The CAL field should only be used have a non blank entry if the sample to be run is a standard which will be used to update an existing Calibration file N indicates a new file will be started with this run all previous data in the calibration file will be replaced R means the current calibration level will be replaced beginning with this run and A indicates the new standard s response will
443. t Calibration file and then resaving it with a different name using the Save As command Section 10 below In order to utilize a Calibration file it must be saved to disk with a unique filename and must include a valid Reference Peak table with at least one calibration level defined for at least one peak If a Calibration file specified when running a Method or Sequence is not valid or does not contain the proper information the Method or Sequence will not be permitted to start and an error message will appear advising that an invalid Calibration file was found The Reference Peak Table like other Data Ally tables is a spreadsheet consisting of a series of rows and columns which can be edited by placing the Edit cell highlight in any row corresponding to a peak or by using the Fill dialog in the same manner as for other tables Columns indicating Peak Name RT and Calibration Type are automatically filled in with information from the Integration Peak 178 Data Ally Chromatography Manager Operators Manual Table being referenced to provide the user with a complete description of each peak Additional columns are provided for FIT BASIS UNITS and LEV for levels from 1 to 16 You can easily re order the columns in the Reference Table from left to right or change their individual widths at any time Both the column order and widths are set as defaults in Configuration To move a column to another position in the table simply place the po
444. t far left This column is always visible regardless of the view of the table to make it easier to locate and edit particular items or entries The spreadsheet commands INSERT DELETE COPY PASTE and CUT at the bottom of the Table operate in exactly the same way as for the Events Peak and Calibration Reference Tables S To INSERT new lines into the Table position the edit highlight anywhere in the line row below the intended insertion point and click to anchor it Then click the INSERT button to insert one or more empty lines above that position You can also insert new lines at the end of the Table by moving the highlight to the last cell in the table and pressing ENTER S To delete a row move the edit highlight into any column in the row to be deleted and click on DELETE The line will be removed The DELETE command differs from CUT in that a row s contents cannot be PASTEd back into a different position after being DELETEd S To copy a row move the edit highlight to the desired row to be copied and click to anchor Then click on the COPY button to copy an image of that row S To cut move a row from one position in the table to another click the edit highlight in the desired row to be moved and click on the CUT button S To paste a copied or cut image of a row into the Table move the edit highlight anywhere in the row below the position for the row to be pasted Then click on the PASTE button to paste the copied or cut row
445. t in the left list box two new items Input and Output will immediately appear in the right list box Figure 5 10 HPLC1 lt lt Configure gt gt File Component Help Configuration pyramid cfg Set Components Add Component List of Drivers D Output HPLC Timebase E Figure 5 10 Adding Relay Flags To set an Input Relay flag for starting Data Ally methods in response to an Injection contact closure from an autosampler reed switch or other device click on Input and then click OK to add Input Flags to the Components listing or click CANCEL to cancel the addition The Components dialog will redisplay with the new Input Flags item listed exactly as you added the second analog detector input above Now click on Input Flags in the Components Setup dialog to highlight it and then on the SETUP button the Input Flags Setup dialog will appear Figure 5 11 41 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File Component Configuration pyramid cfg Help Grapl Set Components Installed Components m Set Input Flags mes A Input Flags Enable Logic U Is Hi Sequen 1 Hi Calib 2 Hi r3 Hi tilitie HPLC Timebase 4 Figure 5 11 Input Flags Setup Dialog Each Communications Processor has four input relay flags or contact closures identified on its connections panel by code letters One of the input flags is marked S a
446. t the desired filename if any and click to enter it If you wish to perform automatic calibrations using standard materials with the default method in this time base for any detector inputs click on the check box in front of each such detector s CALIBRATION filename entry field to check it IF YOU DO NOT CHECK THIS BOX FOR ANY DETECTOR YOU WILL NOT BE ABLE TO DEFINE AUTOMATIC CALIBRATION FOR THAT INPUT AS PART OF ANY METHOD Use the down arrow button at right of this field to choose from the current selection of CAL files available as defaults For each check marked detector you can now enter a default calibration filename in the CALIBRATION field if desired and or designate a calibration TYPE or LEVEL number in the appropriate fields If you leave any of these fields blank for any detector you will need to make entries to use any calibration functions before actually running the default method in this time base It is best to leave these fields blank unless you will be using applications in which very frequent calibrations are performed To set the default reports for chromatograms from any detector input click on the REPORTS button corresponding to that detector to view the Method Reports Default dialog Figure 5 43 64 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt I 4 Method defaultmet Set Reports Number of Reports O None C1 2 C3 C4 Enable Template Filename C
447. tDiskAccess on device int13 device xwdctrl mouse und network dosnet xunetbios ebios ebios woafont dosapp fon display xudduga EGAS 6WOA F N EGAS 6WOA F N EGA 6WOA FON EGA46WOA FON CGA8 BWOA FON CGA8 8U0R FON CGA4S6WOA FON CGA46WOA FON keyboard vkd device vtdapi 386 deuice xupicd Figure 17 10 Removing Driver Lines in SYSTEM INI File If present disable both lines as in Figure 17 10 by typing a semicolon character at the beginning of each line When finished resave the modified SYSTEM INI file before exiting After disabling these driver lines use the Windows Control Panel subprogram to uncheck the Use 32 Bit Disk Access check box Reboot the computer after making these changes and initialize Data Ally to determine if the Page Fault errors still persist Other possible causes of Page Faults are incorrect network software driver setup and improper CONFIG SYS files General Protection Faults These faults appear in the form of a message box when a condition occurs in Windows DOS which prevents the system from proceeding In the event of a General Protection error the Data Ally software will become nonfunctional and the CTRL ALT DEL command must be used to quit Data Ally This command will usually not affect other Windows or DOS applications which may be running concurrently with Data Ally General Protection faults may be caused by the same factors which elicit Page Fault errors by timing problems
448. ta Ally Chromatography Manager Operators Manual the desired expansion factor value An entry of 10 for either field will cause the display to expand by a factor of ten times in that field s dimension When the values are set as desired click OK HPLC1 lt lt Ready gt gt Hit Math Display View Print Graph cApyramid pdfimanh p36 pdf Zoom Center Scaling Scale Factors Cancel Heb Horizontal Axis 2 0 _Cancet_ Vertical Axis 2 0 Hep Millivolts Figure 7 30 Zoom Center Scale Factors Dialog Zoom Center can be enabled for any specific Graph window s It is possible to have some windows set for standard rubber band zooms only and some for zoom center The rubber band zoom option is always available whether zoom center is active or not 7 6 0 Changing Graph Display Characteristics The Display submenu of the Graph Command Menu Bar Figure 7 31 sets and modifies most aspects of the current active Graph window including what information is displayed the colors and relative positions of chromatogram and other traces the relative placement of multiple chromatograms and the order of chromatograms in the register stack Some of the Display functions can also be performed using the filename icon buttons at the bottom of the Graph window HPLC1 lt lt Ready gt gt File Edit Math EES ma Attributes m TT YETTNUET Colors mm Offset Scaling Method Split Status
449. tegrate Reintegrate causes a recalculation of the results using the baseline as marked This function is mainly used to update calculations from prior edit sessions 7 3 2 Integrating Chromatograms Manually Chromatograms loaded in the active Graph screen window can be integrated manually at any time or re integrated if an automatic integration was performed at the time a chromatogram was first 109 Data Ally Chromatography Manager Operators Manual acquired Only one chromatogram in the Graph window the one loaded into the foreground register whose filename icon appears at the top left position under the graph time axis can be manually integrated at one time This restriction is intended to prevent confusion in visually understanding the integration results on screen Any desired chromatogram in any register can be swapped into the foreground position for subsequent integration Integrate vun ea Slope Sensitivity L u s Slope Interval Baseline Drift uVis Automatic Noise Reject 30 ms Minimum Peak Height 1000 uV mep Minimum Peak Width s Minimum Peak Area 100 uVs l View Only Dropline Skim Ratio 10 0 i Figure 7 13 Integration Dialog 2 To integrate the foreground chromatogram click on Edit in the Graph Command Menu bar and click the left mouse button on Integrate in the Edit submenu The Integrate dialog will appear Figure 7 13 containing several fields with the in
450. tegration algorithm parameters from the currently loaded Integration screen Section 9 1 2 To perform an integration of the entire chromatogram using these parameter values click OK the hourglass will appear as the integration begins When completed baseline peak codes and other information selected by the Display Attributes setting Section 7 7 2 will be shown NOTE You may click on Automatic to have the software try to determine the appropriate integration parameters If you are not satisfied with the results you may then adjust them as needed When you execute an integration the system will pause for a moment while completing the integration process and will then redraw the screen with baselines peak labels retention times and other information e g peak names derived from the current Integration screen if appropriate Chromatograms collected with high sampling rates or with many peaks will require a longer integration time than those with low sampling rates or few peaks If zone codes have been placed in the chromatogram at the time it was acquired or by previous editing they will be used by the Data Ally integrator during manual integration unless they are cleared or edited You can of course place additional zone codes or modify the current codes at any time by using the Define Zone Codes command in the Edit submenu With every integration all previous baseline codes associated with the foreground chromatogram are replaced
451. ter s CMOS Setup Utility In order to for your Data Ally Hardware to function properly you must inform your computer s BIOS and Windows 95 operating system that certain resources are required by Data Ally This is a two step process The first step is to reserve the IRQs 10 amp 11 in Windows 95 The second step requires you to reserve IRQs Interrupts 10 amp 11 in the CMOS Setup Utility The instructions that follow are intended to be a general guide as to how to reserve these resources CMOS Setup Utilities vary somewhat in how the user must proceed in order to reserve resources so the guide lines provided here should may not be exact but they should be close Reserving IRQs in Windows 95 Go into control panel click on Start Settings Control Panel and click on the SYSTEM icon and then settings System Properties 21x General d Hardware Profiles Performance View devices by type C View devices by connection 4 CDROM amp 9 Disk drives im Display adapters Sy Floppy disk controllers Sy Hard disk controllers F Keyboard Modem WE Monitor 9 Mouse T Standard Bus Adapter Mouse A Standard Serial Mouse BI Network adapters amp Other devices Ports COM amp LPT E Communications Port COM1 x M Ne Fnk CCAA Properties Refresh Remove Print j e D H 1 H 6 Cancel When you see the above dialog box click on P
452. the Calibration Point Table 10 3 2 3 Multiple Level Internal Standard Calibration Quadratic Regression If quadratic polynomial regression fitting is selected the existing standards will be used to determine the coefficients which best fit the polynomial curve Corrected Concentration KA Basis KB Basis KC where KA n ZBA2 EB4C ZB C ZB EB ZC 2 ZB2 ZB C ZB ZB C EB C2 EB2 n ZB 2 ZB 2B 2 EB ZB 2 B ZB ZB EB KB n ZB C ZB ZB ZB2C EB 2B 2 ZB 2C ZC 2 ZB EBe ZC 2 EB ZB2 ZBxCx 195 Data Ally Chromatography Manager Operators Manual n ZB 2 ZB ZB 2 EB ZB ZB EB ZB EB KC XCA XBA EB XB2y EB C4 EB2 EB2 ZB EB EB amp Cq EB B EB9 n ZB2 XB ZB5 2 XB3 ZBZ XB2 ZB3 XB B The actual concentration of each unknown peak is then found as Actual Concentration Corrected concentration Basis of IS Dilution Concent of IS Weight Injection Volume If the Q curve fit option is used in the Calibration Reference Peak Table the concentration intercept KC will usually not equal 1 The QO fit option can be employed to force a quadratic curve fit to go through the origin so that KC 0 For the Q or QO fit options the Calibration Plot window will always draw the theoretical best fit response curve plotted from the concentrat
453. the Zoom Box to appear when the default Method is loaded click on Zoom Box the Zoom Box window will appear The Zoom Box is a range finding tool which is most useful when editing long chromatograms to help you locate your current position when zooming various views Normally the Zoom Box will not be enabled as a default If the Zoom Box is already enabled as the default simply close it to defeat this setting Click on Zoom Center to set the Zoom Center magnification parameters for both the time and signal axes the Zoom Center submenu Figure 5 32 will appear 55 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt Edit Math Display NAM Print E Zoom Box ME elp Zoom Center Enable Zoom Center Scaling Set Zoom Scale Factors PEAKTHREE 3 Figure 5 32 Zoom Center Default Submenu To activate the Zoom Center function as default for this time base click on Enable Zoom Center Scaling to check mark it When Zoom Center is activated double clicking anywhere on the current Graph window will zoom the display centered around the cursor position by preset expansion factors To reset the expansion factors as default click on Set Zoom Scale Factors to see the Zoom Center Scale Factors Default dialog Figure 5 33 HPLC1 lt lt Configure gt gt File Edit Math Display View Print Help Graph c pyramid alis60 pdf srmn Zoom Center Scaling Scale Factors Method Horizontal Axis
454. the active Graph window on a single page In Sections Prints the current active Graph window sized to show the longest loaded chromatogram on several pages with each page time scaled to the current scaling The From and To entry fields allow selection of only a partial set of pages the total number of pages to be printed is automatically computed and shown as soon as the option is selected The Copies field can be used to change the number of copies to be printed If the Collate Copies check box is checked all copies will be collated on the printer into complete sets If the Include Printout Info check box is checked the informational items chosen using the Printout Info command see 7 7 2 below will be included in an area at the top of the printout Leaving this check box unchecked will cause only the chromatogram file name s axis labels date and time of printout and page number s of printout to be included If the current setup is as desired click OK To reset the printer select portrait or landscape printing or change other printer parameters click on the Setup button The Setup dialog box Figure 7 44 will appear HPLC1 lt lt Ready gt gt dit Math Display View Print Graph cApyramidipdfimanh p36 pdf g Print g 7 Printer nain Lc anra m z Print R Printer C wi n Default Printer Cu ws Printing System on LPT1 C In HP LaserJet it on LPT1 X Inch
455. the number of existing blank lines in the range you must check the Allow Insertions box to automatically add and fill sufficient lines to match the No of Steps entry S To fill all existing ranges of empty rows in the column with evenly spaced automatically computed values with each filled row s value corresponding to the difference between the value of the cell immediately preceding that range and the value of the next row having a non blank entry following the range divided by the number of intervening rows click FILL to see the AutoFill dialog select Increment Start of Table End of Table and Allow Progressions Leave all other selections blank off 212 Data Ally Chromatography Manager Operators Manual S To overwrite existing values along with any blank rows with incremented values in an entire column place the edit highlight on the basis row for incrementing click FILL to see the AutoFill dialog select Increment Current Cell and End of Table enter the increment value in the Increment field and check the Allow Overwrites command with all other fields and options blank off S To overwrite existing values in a portion of a column with incremented values place the edit highlight on the basis row for copying click FILL to see the AutoFill dialog select Increment Current Cell End of Table and Allow Overwrites enter the increment value in the Increment field and enter a No of Steps
456. the top line Command Menu Bar has changed 35 Data Ally Chromatography Manager Operators Manual TB1 lt lt Ready gt gt File SiC Quit Enter Configuration Utilities Heip Method Utilities TB1 Timebase Figure 5 1 Selecting Configuration Mode From Utilities Screen When you are in Configuration mode and the Configuration window is visible all Data Ally time bases are disabled and any runs in progress will be terminated Therefore you should be certain that all runs acquire or reprocess have been stopped before beginning reconfiguration In the Configuration Window the name of the current time base view appears in the center top bar followed by lt lt Configure gt gt the name of the currently loaded Configuration file appears in the subordinate window bar below The acquisition time base has an associated Edit time base with its own dedicated SoftButton The Edit time base which cannot support live data acquisition from detectors but is used for off line results review and processing can be configured independently of the live time You can use this capability as an example to set up special features in an edit time base which you do not wish to be present in the associated live time base used to capture data TB1 lt lt Configure gt gt File Component Configuration pyramid cfg Method Utilities Timebase TB1 Edit Figure 5 2 Configuration Window 36 Data Ally
457. their individual widths at any time Both the column order and widths are set as defaults in Configuration To move a column to another position in the table simply place the pointer cursor on that column s header button hold down the left mouse button and drag the header button left or right to the new desired position relative to the other columns When the pointer is in the desired position release the mouse button and the entire column will be moved and the table redrawn accordingly Modifying the order of columns may make certain types of table editing or review easier by allowing placement of all columns currently being manipulated in view on a single screen you can easily move unimportant column information to the right and off of the displayed table window area To change the width of any individual column move the pointer cursor to the border of its header button and the next column header button in the direction in which you wish to expand or reduce the column width The cursor will become a double sided horizontal arrow when this change occurs immediately hold down the left mouse button and move the arrow cursor in the direction you wish the button edge to expand or contract When the desired column width is indicated by the position of the cursor release the mouse button and the column will be resized and the entire table redrawn accordingly This feature permits you to match the exact sizing of each column to the expecte
458. ther linear quadratic exponential or interpolated methods to determine the relationship between concentration and response over a range of values 10 3 1 2 Multiple Level Calibration Linear Regression If linear regression curve fit is selected regression is used to determine the coefficients which best fit the linear relationship Corrected Concentration KB Basis KC where n B ZB 191 Data Ally Chromatography Manager Operators Manual KC Cx KB XB concentration intercept n n with C the corrected concentration of component x B basis area or height of component x n number of standards run Once the corrected concentration is found for a peak s basis the actual concentration for that peak is computed by Actual Concentration Corrected concentration Dilution Weight Injection Volume For linear fits a correlation coefficient r can also be computed as a measure of goodness of fit r n EC B ZBJ EC V N B ZBIEC 2C4 7 In most instances when linear regression fitting is used the concentration intercept term KC will not be zero If you wish to cause the KC term to be forced to go through zero in order to equate a peak basis area or height of zero with a concentration of zero you can use the LO curve fit option instead of the normal L fit The LO fit code causes the regression to be computed in the usual manner as above and then changes the KC term to zero
459. thod files directory to assist in selecting Methods to be loaded Click OK when done or CANCEL It is recommended that as with all other default settings the default Method screen be configured for the most common routine situation for this channel which is most convenient since no additional programming will need to be entered whenever that situation is present The default Method can always be modified in any manner to create custom Methods which can be loaded for use at any time Assigning an Existing Method File As Default Instead of creating a new name and completely entering a default method file you can re assign an existing Data Ally method file and its file configuration as the default configuration for the current time base An assigned file will replace any existing file shown in the Configuration Method Window and will substitute the new file s parameters and configuration in place of the old To do this click on File in the top command menu bar and select Assign Method from the pulldown submenu to view the Assign Default Method dialog Figure 5 46 66 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt Method default met ASSIGN DEFAULT METHOD FILE Help Directories c pyramid E c pyramid call2 met C3 anticon5 Integ cal13 met catechol test met Imws test1 met 3 orgacids Sequence test3 met 3 pat program pyrtemp Graph Method Calib List Files
460. ting rows to be cleared filled with a blank entry If the number of steps exceeds the number of blank rows in the column the Allow Insertions box must be checked to add sufficient rows to meet the No of Steps criteria S To fill a column in a new table with incremented values enter the beginning basis value in the first row place the edit highlight on that row click FILL to see the AutoFill dialog select Increment Current Cell and End of Table enter the increment value in the Increment field and enter the number of rows for which incremented values are to be inserted in the No of Steps field 2 To fill a column with incremented values in blank rows up to the next existing entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Increment Current Cell and To Next Entry and enter the increment value in the Increment field leave other fields and options blank off S To fill an existing row s incremented value into more or less empty rows than the number of empty rows found in the current column up to the next entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Increment Current Cell and To Next Entry Type the increment value into the Increment field and the actual number of empty rows to be filled incremented into the No of Steps column with all other fields and options blank off If the No of Steps value e
461. tion 4 3 2 Basic Mouse Techniques There are several basic mouse operations needed to make use of all Data Ally graphical functions To Action Required Point Move the mouse pointer until it is on or next to the desired object Click With the pointer in position press and release the left or right mouse button Double Click With the pointer in position quickly press and release the left mouse button twice there is no double click function for the right button Drag With the pointer in position press and hold down the left mouse button while you move the mouse The object you are moving on screen will follow the motion Release the button when the object is in the desired position 4 4 0 Data Ally Tables The Data Ally system utilizes tables in order to program method events for execution Events Table peak identifications referencing and handling Peak Table calibration standards and results Calibration Reference Peak and Calibration Tables and series of batched methods Sequence Table All the tables incorporate the same commands and techniques for making entries moving through the table to review adding or deleting lines and filling or graphically programming the contents of columns All Data Ally tables are essentially spreadsheets consisting of a series of vertical columns defined in Configuration and at least one horizontal row Rows are defined and added as tables are programmed Columns can be moved a
462. tion Files Command Submenu sese nennen nennen 173 Figure 9 8 Integration Files Load Dialog eesseeeeeeseeeeeeeeen eene enne ene nene tenete nennen eren 174 Figure 9 9 Clearing Peak Table rtr ri ere Pe Seite re be ERE egere tee een shes 174 Figure 9 10 Integration Files Save As Dialog sees nennen rennen 175 Figure 10 1 Calibration Screen se ege eee tree Ire Rei che te eite tere iet e eee che eh dein 177 Figure 10 2 Reference Peak Table Window sess rene nennen tren nennen 178 Figure 10 3 Calibration Files Submenu sess eene enne eene tnnt tenete trennen trennen 180 Figure 10 4 Calibration Setup Dialog eeeeeeeseeeeeeeeeeeeeee nennen E Ee oe EESE tenete entente enne 180 Figure 10 5 AutoFilling Curve Fit Type nennen nennen enne eene enne tene tene trennen nne 182 Figure 10 6 Changing Basis for Existing Peak in Reference Table sese 183 Figure 10 6 Calibration Table 2 neret pror He Ree r E rr SHE EE EE Ea e ott 187 Figure 10 8 Calibration Plot Window edo ROI oretenus RE ERR 189 Figure 10 9 Using Manual Calibrate Function to Process a Standard Chromatogram ss 197 Figure 10 10 Automatic Indexing of Calibration Table After Plot Point Selection sss 198 Figure 10 11 Failing a Calibration Data Point sese eren enneenee ne tene nennen trenn
463. to Data Ally you will be informed that the autosampler is not responding and to check the connections This error can be a result of invalid parameters See the ranges listed above 244 Data Ally Chromatography Manager Operators Manual e Usually the method events table will be programmed to contain an S input flag at 0 10 minutes This allows any pump control to begin and hold until an injection contact closure is sent from the autosampler 15 1 7 Injection Modes There are two mode of filling the injection loop The first mode is the Dispenser Controlled Injection mode This mode uses the Digital Dispenser System pump The second mode is the Pressure Controlled Injection Mode The latter mode requires Air pressure to operate 15 1 8 Dispenser Controlled Injection Mode 1 Dispenser aspirates approximately 10 mL air bubble in the sample needle for more efficient removal of the previous sample With the injection valve in inject position the coaxial needle pair is inserted into the sample Air pressure applied to the sample through the outer air needle ensures that no air or vapor bubbles are formed during sample withdrawal 2 Dispenser withdraws Pre Flush Volume from sample vial to fill the sample line with sample and to remove previous sample 50 999 mL programmed via the sequence screen 3 Injection valve switches into load position dispenser transports 2 or 3 x loop volume through the loop to fill the loop quantitatively in
464. to add sufficient rows to meet the No of Steps criteria S To fill a column in a new table with incremented values enter the beginning basis value in the first row place the edit highlight on that row click FILL to see the AutoFill dialog select Increment Current Cell and End of Table enter the increment value in the Increment field and enter the number of rows for which incremented values are to be inserted in the No of Steps field S To fill a column with incremented values in blank rows up to the next existing entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Increment Current Cell and To Next Entry and enter the increment value in the Increment field leave other fields and options blank off To fill an existing row s incremented value into more or less empty rows than the number of empty rows found in the current column up to the next entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Increment Current Cell and To Next Entry Type the increment value into the Increment field and the actual number of empty rows to be filled incremented into the No of Steps column with all other fields and options blank off If the No of Steps value exceeds the number of actual intervening empty rows sufficient new rows will be added and filled to meet the No of Steps criteria S To fill all currently empty series
465. to compute the results for the unknown You have now provided the Method with all the essential instructions for acquiring and processing new chromatograms Your Method could be run at this time by simply clicking on the RUN SoftButton at the lower left There are of course additional parameters settings and commands you may wish to use which are accessed by the buttons at the bottom of the screen 8 3 0 Events Table S To show the Method Events Table click on the EVENTS TABLE button at bottom right The screen will change to a horizontally split orientation Figure 8 6 with a working Graph window at the top and a table on the bottom HPLC1 lt lt Ready gt gt Ee File Edit Math Display View Print np Ir Graph c pyramid pdf 987 571 pdf 600 x Events Table default met read onl 4 LS EJ ey Flow sa e F In EC Cmd Guara cen cense EB Te 0 5 s Timebase HPLC Edit 5 TE2 E Timebase TE2 RUNI YO od Figure 8 6 Method Events Table 8 3 1 Events Table Functions The Events Table is generally displayed along with a Graph window so that many graphical features for modifying the table entries can be conveniently used The top Graph window is exactly the same as the full screen Graph accessed by clicking the GRAPH SoftButton and can be used for both real 144 Data Ally Chromatography Manager Operators Manual time chromatogram display while a Method is running or for loading r
466. to control the Decade detector the Decade driver must be configured in by entering the configuration mode in Data Ally Choose either the DC or Pulse driver and then while still in configuration mode go to the Method screen events table and enable the columns desired to control the Decade detector See section 5 in the Data Ally User s manual for general configuration details 248 Data Ally Chromatography Manager Operators Manual Below are the commands for the two modes Global Commands for either mode Commands INJECTx Valve option RESETx Resets time TEMPx Sets oven temp MARK Crashes comm AUXx Various outputs TCx Time Constant Clamp KBx Keyboard lock Cell Commands DC mode OFFx Offset 96 MVx DC Cell Pot FILTERx Time Const CELLx On Off PAx Range NAx UAx Cell Commands Pulse Mode OFFx Offset 96 P1Tx Pulse Time1 P2Tx Pulse Time2 P3Tx Pulse Time3 STIMEx Sample Time CELLx On Off PAx Range NAx UAx P1MVXx Pulse Pot P2MVXx Pulse Pot P3MVXx Pulse Pot Value 1 load 2 inj 4 00 off else 15 60 1 Dangerous 0 1111 2222 1 on 2 off 1 locked 2 not locked Value 10 15 1 20 25 2 1000 1200 1 2000 2200 2 1 6 0 1 5 1 on 2 off 11 19 10pA 5nA 21 29 1nA 50nA 31 39 10UA 5 0UA Value 10 15 1 20 25 2 10 200 10 200 10 200 1 5 20 40 60 80 100 ms 1 on 2 off 11 19 10pA 5nA 21 29 1nA 5
467. to disable any individual line s during Method execution Within each cell you can place the vertical bar cursor to change the entry at any desired character and the left and right arrow keys can be used to step through characters in any entry one character at a time When a Method is running and its Events Table is being executed the current line being processed or the last line which was processed is highlighted in the table The view of the table will automatically be adjusted so that the highlighted current line is always approximately two lines from the top line shown in the table window as the highlight moves down through all the events lines You can use the vertical scroll bar or the PgUp PgDn or CTRL PgUp CTRL PgDn functions to move around in the Events Table while it is running In order to change a running Method you must either STOP the Method or wait until its DURATION has elapsed and it stops automatically 8 3 2 Events Table Column Parameters The Events Table parameters which may be selected as headers for table columns during Configuration are listed below In most cases all available parameters will not be used in any one 145 Data Ally Chromatography Manager Operators Manual Table Some parameters are appropriate only for certain types of instrumentation Certain items such as TIME must always be present in the table and these items are listed as non configurable Note that the actual names for each functiona
468. toFill dialog select Increment Current Cell and To Next Entry Type the increment value into the Increment field and the actual number of empty rows to be filled incremented into the No of Steps column with all other fields and options blank off If the No of Steps value exceeds the number of actual intervening empty rows sufficient new rows will be added and filled to meet the No of Steps criteria S To fill all currently empty series of consecutive rows in the column with incremented values based on the rows prior to each empty group of rows click FILL to see the AutoFill dialog select Increment Start of Table End of Table and Allow Progressions Type the increment step value for each row into the Increment field with all other fields and options blank off S To fill a column with incremented values in all blank rows based on an existing entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Increment Current Cell and End of Table and enter the increment value in the Increment field leave other fields and options blank off S To fill a range of rows with evenly spaced automatically computed values with each row s value corresponding to the difference between the basis cell s value and the value of the next row having a non blank entry in the column divided by the number of intervening rows place the edit highlight on the basis cell first row in the
469. trennen 219 Figure 12 5 Axxiom 700 Series File Conversion Dialog essere 220 Figure 12 6 File Export Dialog eee peeing eee etr er e e A SER eder 221 Figure 12 7 Export Piles Dialog nce tree ripa eter pipe ERO RE e ES eR 221 Figure 13 1 Data Ally Help Window eno Rope e EGRE 223 Figure 13 2 Help Contents Index Window cece ces csecseecseeeseeeeeeeeeeeceeseceseceaecsaecsaecsaecseesseseneseeeeeeeereneeens 224 Figure 3 3 Help Search Dialog aee geret eeteeter i tubs ERE E ERE ente oee Eenes EES Sv eoni 224 Figure 13 4 Help History Window esses nennen trennen eren enne emet n eerte ne trennen tren 225 Figure 13 5 Bookmark Define Dialog eet terere toten TE EEEE sE o re DEOR etre intet etin 226 Figure 13 6 Help Annotation Dialog sesoto e onse e neer nnne ennt nennen rennen ener nnne trennen 226 Figure 14 1 Excel Files Open Dialog Box eeeeeeeeeeeeeeeeeee nennen nene eene eene tnnt nenne nre 229 Figure 14 2 Examining an Excel Worksheet Report Template essen 229 figure 15 1 Marathon Autosampler Setup Dialog sees enne nete 243 Figure 15 2 Typical Sequence Table For Autosampler Operation esee 243 figure 15 3 Kontron Autosampler Setup Dialog sesesssssseeseeeeeeeenreneenee nnne nennen 246 figure 15 4 Typical Sequence Table For Autosampler Operation sese 247 Figure 15 5 Typical Data Ally PDA
470. tron 460 autosampler control Choose the Kontron 460 Autosampler Model from the ADD dialog while in Utilities Configuration Setup mode While in Data Ally Configuration you may enable the Vial No column so that you can perform random vial number selection during a run Also enable the number of injections column and enable the autosampler enable check box in the top Sequence screen after clicking the Autosampler button NOTE The maximum number of injections per vial in Data Ally is limited to 9 This is due to the way file names are constructed from the sequence line and injection numbers When a Sequence is started Data Ally waits for the autosampler to communicate and start before the Method file is allowed to run Should the autosampler send an error message to Data Ally you will be informed that the autosampler is not responding and to check the connections This error can be a result of invalid parameters Usually the method events table will be programmed to contain an S input flag at 0 10 minutes This allows any pump control to begin and hold until an injection contact closure is sent from the autosampler This mode of synchronization requires a flag cable between the Data Ally S input connection and the inject relay contact connector of the autosampler 15 3 Detectors 15 3 1 General Instructions for connection of detectors to Data Ally Detectors with analog outputs are connected to the PCP via the Detector Signals INPUT 1 and INPUT 2
471. try is made and entered by pressing ENTER CTRL arrow or TAB or you click in any other cell in the Table the entire row immediately updates as the system forces all pump 96 column entries accordingly to maintain a total of 10096 e FLOW Configurable HPLC or GC This sets the total flow of solvent in either an HPLC or GC system FLOW values in any column cells must be within the limits specified in Configuration for the Pump or GC in this channel and are generally entered in the units specified in Configuration When the system encounters FLOW settings it always assumes that changes from one flow value to the next value encountered are done linearly S To edit the FLOW field click the left mouse button with the pointer cursor inside any cell in the FLOW column and type in the desired value and units code Units can be ml min ml sec etc If no units code is entered the units designation for the previous entry is used This column can also be edited using the AutoFill function see below e FOUT Configurable This column sets utilization of any external output relays or contact closures available in the Communications Processor dedicated to this channel and defined in Configuration Normally each configured output relay flag is given a name identifier during Configuration to make it more convenient to program each flag in the Events Table A flag is entered either by typing its number into the FOUT column One flag can be used as many
472. ts Once a Components listing for the current time base is generated you can also delete or remove items previously added for the current Configuration From the Components Setup menu Figure 5 12 click on the desired item to be removed to highlight it For example to delete a second analog input from the current Configuration click on Analog Input as shown 42 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Configure gt gt File Component BI F Configuration pyramid cfg Grapt Set Components Installed Components HPLC1 System UV Vis Analog Input Input Flags f HPLC Timebase Figure 5 12 Removing a Defined Component Now click the REMOVE button the highlighted item will immediate disappear from the listing You can use REMOVE repeatedly to delete several items You can replace each items by repeating the ADD command series as detailed above 5 2 5 Setting Controlled System Instrument Components Data Ally allows you to identify any and all instrumentation and accessories which form your chromatographic system This is particularly important when instrument control options are present To select an instrument control driver from the Components Setup dialog click the ADD button to see the Add Components dialog Figure 5 8 Now click to highlight the item in the left list box corresponding to the type of instrument component you wish to add You must have Purchased the Control Package f
473. using the Calibrate command Based on your entries Calibrate will recompute the current Calibration file which can then be reviewed and edited in the Calibration screen Section 10 Of course in order to perform valid calibration updates via manual calibration you must be sure that appropriate Integration and Calibration files are currently loaded 2 To perform a manual calibration with a standard chromatogram integrated in the foreground register click on Edit in the Graph Command Menu bar and then on Calibrate The Calibrate dialog box will appear Figure 7 23 HPLCI lt lt Ready gt gt E e Edit Math Display View Print frei zz Calibrate nin Correction Factors Anternal Standard Amounts Dilution isi Weight Sample Name newsample No Calibrate Level h New C Average C Rep Lev Report Template Filename Print Show existaxs sl Ix r Figure 7 23 Manual Calibration Dialog 119 Data Ally Chromatography Manager Operators Manual The dialog box contains four types of information sample specific factors describing the standard such as Dilution as defined in the Sample Information dialog of the current Method screen Internal Standard concentration entry fields for the number of internal standards currently configured a Calibration Level selector and Mode radio buttons for choosing the type of calibration New Table Replace Level Average and a temp
474. utton Edit Pop up dialog and the button drag and drop tools in exactly the same manner as for the other tables You can type information directly into the Reference Table cells modify peak table information already present there or use the spreadsheet or FILL functions to complete cell entries See Section 9 0 below for a complete explanation of how calibration reference tables are created and utilized Calibration Data Point Table The final step in configuring Calibration files is to set the contents of the Data table Click anywhere inside the Calibration Data Table window in the bottom portion of the screen to make this window 80 Data Ally Chromatography Manager Operators Manual active To review the current contents and available fields for the table put the pointer on any of the column header buttons click the RIGHT mouse button to see the Button Edit Pop up and click Enable Disable to view the Configuration Calibration Point Table dialog Figure 5 66 HPLC1 lt lt Configure gt gt File Help Calibration Curve 141 Reference Table default m RT Peak Name B Graph Method Integ Configure Point Table Columns Selections Area Area KC Polynomial Coefficients KB Polynomial Coefficients KA Polynomial Coefficients Conc Concentration Height Height RF Response Factor RT Retention Time Run Date Run Date Run Time Run Time Smp Descr Sample Description Smp Name Sample Name
475. value into all currently empty rows in the entire column place the edit highlight on the basis row click FILL to see the AutoFill dialog select Duplicate Current Cell and End of Table with all other fields and options blank off 2 To fill an existing row s value into more or less empty rows than the number of empty rows found in the current column up to the next entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Duplicate Current Cell and To Next Entry Type the actual number of empty rows to be filled into the No of Steps column with all other fields and options blank off If the No of Steps value exceeds the number of actual intervening empty rows sufficient new rows will be added and filled to meet the No of Steps criteria S To fill all currently empty series of consecutive rows in the column with the values found in the rows prior to each empty group of rows click FILL to see the AutoFill dialog select Duplicate Start of Table End of Table and Allow Progressions with all other fields and options blank off S To overwrite existing values along with any blank rows with duplicated values in an entire column place the edit highlight on the basis row for copying click FILL to see the AutoFill dialog select Duplicate Current Cell and End of Table and check the Allow Overwrites command with all other fields and options blank off S To cle
476. ve graph window for any item click on the Autoscale check box for that item to defeat Autoscaling and then click inside that item s corresponding MIN or MAX entry field and type in the desired value If no MIN is entered zero value will be assumed If no MAX is entered Autoscaling will be enabled automatically If Autoscaling is checked Autoscale display will override any simultaneous values in the MIN and MAX fields for each parameter Since Autoscaling can be independently set for each Graph axis it is possible for example to set the display for auto expansion only in the time axis during live runs or only in the signal axis with fixed window scrolling in the time axis The settings for scaling will determine exactly how the display appears during live acquisition runs Like all the other Display functions scaling can be changed on a real time basis while runs are in progress to observe the resulting effects All Method Events table parameters which are plottable pump 96 GC oven temp will appear as separate items in the Scaling dialog for each channel and can be switched between Autoscaling the normal mode and manual scaling in the same manner as the input signal traces To set scaling for HPLC pump profiles if these are to be plotted click Pumps in the Scaling dialog Figure 7 35 to view the Pumps Scaling Dialog Figure 7 36 HPLC1 lt lt Ready gt gt File Edit Math Display View Print Graph cApyramidipdf987 571 p
477. vertical editing point one character to the left inside the Edit cell Press the up arrow key to move the vertical editing point to the first leftmost character inside the Edit cell Press the down arrow key to move the vertical editing point to the last rightmost character inside the Edit cell Press the HOME key to move the vertical editing point to the first character inside the Edit cell same as 1 Press the END key to move the vertical editing point to the last character inside the Edit cell same as 4 4 4 2 Adding Moving Copying and Changing Rows All Data Ally tables with the exception of the Calibration Table can be modified using the four yellow command buttons found beneath the left portion of each table INSERT CUT PASTE and COPY These commands are analogous to the similarly named editing commands found in many Windows applications They are used as follows INSERT DELETE CUT COPY Click the left mouse button on INSERT to insert a new blank row immediately above the currently selected row in which the Edit cell highlight appears This is used to place new rows into a table at any desired position Click the left mouse button on DELETE to delete the current row of the table in which the Edit cell highlight appears Unlike CUT below DELETE commands are irreversible and cannot be used to PASTE rows back into the table Click the left mouse button on CUT to remove the current row in the table i
478. via the New calibration command option or the user selects the Files Clear command to remove all existing calibration information from the current file As soon as a single point appears for any peak in the Calibration Point Table a plotted line will be drawn in the plot window between that point s position and the plot s origin This line represents the relationship between concentration and response and will be updated and re averaged as additional points are added Use of the Linear L and Quadratic Q curve fit options will result in a plot of multiple standard level data ranging from the highest standard run to the x or y axis of the plot the y intercept value will always be included in the plot If the fit through zero option codes are used LO or Q0 the plotted line will always pass through the origin For Interpolated fit options the plot will only span the actual range of standards run and shown in the Calibration table An Interpolated fit plot will only pass through the origin if one or more standards run has been designated as a zero concentration level blank or if the IO code has been used for FIT to extrapolate through the origin If the current Calibration includes internal standardization or correction factors for dilution weight injection volume or user defined factors the Plot Window will generally show a plot of corrected concentration and or basis area or height values with the plot labeling indicating the correctio
479. visual magnification you may need Of course you can also terminate the Draw Baseline mode and use the Graph Display and View commands to change the current scaling and or view of the chromatogram before restarting Draw Baseline and proceeding While drawing baselines and skims each step will be reintegrated as soon as the necessary code placement is completed giving you an on line display of the results When you have finished marking peaks with Draw Baseline click on the right mouse button to bring up the pop up submenu and click on any other option or on End Drawing to leave Draw Baseline mode It is possible to use any of the Graph Edit Display View or Print commands without exiting Draw Baseline mode simply click on the desired command s Clicking the right mouse button after executing those commands will retrieve the baseline editing pop up menu S To place drop lines on the chromatogram select the Drop Lines option on the pop up menu Figure 7 15 A D character will appear at the current cursor position with a vertical line underneath it As you move the pointer the D will move with it Figure 7 16 Place the vertical line at the exact position where you wish to place a drop line and click the left mouse button to anchor the new drop the effects of the new drop will automatically be reintegrated and the new peak labeled You can pan 112 Data Ally Chromatography Manager Operators Manual and zoom while manually placing dr
480. w Print E Granh c pvramid odf98 7 571 odf Figure 7 6 Graph Screen Command Menu Bar Data Ally Chromatography Manager Operators Manual The DISPLAY and VIEW Graph commands are accessible both while the channel is running and while it is idle other commands which are not effective in either mode are grayed out The commands in the FILES EDIT and MATH submenus are generally not available for use while a Method is being executed 7 2 0 Working With Chromatogram Files Graph chromatogram files are DOS compatible files containing the raw data signal versus time data defining one or more chromatograms Such files normally also include other information describing the current channel programs in use date time and operator values all current integration data and relevant calibration data The Command Menu bar Files submenu includes all the commands needed to retrieve and save chromatogram files manually Automatic file saving can be programmed as part of any Method or Sequence 7 2 1 Files Commands Clicking the left mouse button with the pointer on Files shows the Files submenu Figure 7 7 This submenu controls manual loading saving deleting and clearing of chromatogram files to and from the Graph window and supports the handling of group files HPLC1 lt lt Ready gt gt IE Edit Math Display View Print Load Graph cApyramidtipdfi9i SaveAs Save All Sequence Figure 7 7 Graph Files Submenu
481. where in that row to place the highlight Click the left mouse button on PASTE and the copied row will be pasted in as a new line above the highlighted row You can now make any other changes to the new row by directly entering those changes into each cell 3 Fill information into any column in the table using the FILL button below the table The FILL function is a convenient way to fill any table column with a series of entries based on one or more entries already made or to compute and enter a new series freeing you from the need to manually type in those entries 6 3 3 1 Using the FILL Functions AutoFill operations are performed on one column in the table at a time To fill entries into a column click inside the top cell in that column or the cell containing the entry on which other row values in the column are to be based Normally a value must be inserted in the column cell as a basis for fill operations The AutoFill dialog box Figure 8 7 will appear 148 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt Help Graph cApyramid pdf 987 571 pdf Graph Fill Table Column A wur Operation e 1 C Increment iia Starting Row Ending Row Cancel C Specify C Specify ner C Current Cell C Up To Next Entry Help Calib Utilities Start of Table End of Table a u lin ncs EE pem vere Options Step
482. whether any instrument control functions are in process click on the EVENTS button to view the Method Events Table display S To stop the run at any time prior to the programmed DURATION of the current Method click on the STOP SoftButton The run will end and the chromatogram s will be integrated according to the instructions in the Method The trace s will remain in the Graph screen already having been saved to disk If you allow the current default Method to run until its DURATION time is completed the data file s acquired will automatically be saved using the filename s in the Method screen and automatic integration will occur for all specified input files using the Integration program s referenced in the Method S To save the Method you have run click on the METHOD SoftButton to view the Method screen containing the Method in this time base and select Files Save As from the Command Menu bar Enter a new name for your Method and click on OK in the Save dialog box to save the Method for later use 6 4 2 Analyzing Run Data Manually If the new data file s are not integrated when the Method ends or if the automatic integration is not completely satisfactory you can integrate each file in turn manually 2 To integrate manually click the GRAPH SoftButton and using the Graph Edit Integrate command The integration algorithm parameters in the current Integration program are employed and can be varied as desired You can modify t
483. ws click on the BASIS column header button to bring up the FILL dialog box Figure 10 5 Set the mode and range and click on OK to fill Note that the BASIS column can be omitted from the Reference Table when configuring the Calibration screen if the calibration basis is to permanently locked for either area or height for all peaks The system defaults to an A Area BASIS at the time a new Reference Table is set up You can change the BASIS for any peak s at any time after a Reference Table is set up and calibration data have been logged for those peaks Simply click on the BASIS cell for the peak to be modified and type in the new BASIS command code Press ENTER CTRL arrow or click inside any other cell in the table to make the entry a dialog box Figure 10 6 will appear prompting that you are changing the current calibration and asking for approval Click OK to make the change for the peak and see the results in the Plot window or on Cancel to abort the change If Cancel is selected the previous BASIS entry will be automatically restored HPLC1 lt lt Ready gt gt File SL Reference Table caltestcal L RT Peak Name Basis Fit Graph B E 2 77 a A s 4 6 Method Integ Sequence You have changed the calibration basis for a peak with existing calibration points Calib Should these points be recalculated 10 Warning If you choose to not recalculate them Utilities THE they will be removed HPLC
484. xceeds the number of actual intervening empty rows sufficient new rows will be added and filled to meet the No of Steps criteria S To fill all currently empty series of consecutive rows in the column with incremented values based on the rows prior to each empty group of rows click FILL to see the AutoFill dialog select Increment Start of Table End of Table and Allow Progressions Type the increment step value for each row into the Increment field with all other fields and options blank off S To fill a column with incremented values in all blank rows based on an existing entry place the edit highlight on the basis row click FILL to see the AutoFill dialog select Increment Current Cell and End of Table and enter the increment value in the Increment field leave other fields and options blank off S To fill a range of rows with evenly spaced automatically computed values with each row s value corresponding to the difference between the basis cell s value and the value of the next row having a non blank entry in the column divided by the number of intervening rows place the edit highlight on the basis cell first row in the range click FILL to see the AutoFill dialog select Increment Current Cell and To Next Entry If you wish to fill only the existing number of blank intervening rows leave the No of Steps field and all other commands blank off If you wish to fill either only some of the interv
485. y desired Calibration file It is possible to be editing one Calibration file in the Calibration screen of the current channel while that channel is processing standards with one or more different Calibration files in the background In order to perform calibrations either the default calibration filename or another user defined calibration filename must be referenced by the Method or in the manual Calibration command At any time only those calibration files actually established and named regardless of whether they actually contain any calibration data are accessible for accumulating real calibration data Data Ally is capable of automatically resaving calibration files as updates are made so that the cumulative data is not lost alternatively a user can opt for manual only calibration file saving 10 2 0 The Calibration Display gt To see the Calibration screen Figure 10 1 click on the CALIBRATE SoftButton This screen consists of three sections each of which is a resizable and movable window e The Reference Peak Table at upper right which captures the table of all calibrated peaks from the Peak Table of the referenced Integration screen and sets the maximum number of standards to be used and the concentrations of those standards e The Calibration Table at bottom which lists data describing every standard chromatogram which has been used to construct this calibration file e The Calibration Plot window at upper left which
486. y existing peak labels from the original integration can be moved changed or cleared and the chromatogram reintegrated to compute new peak areas at any time Only one chromatogram in the Graph window the file in the foreground register whose filename icon appears in the top left position beneath the graph axes can be edited at one time 7 3 3 1 Entering Baseline Edit Mode gt To begin editing baseline with one or more chromatograms visible in the active Graph window click on Edit in the Command Menu bar to display the edit submenu Click on Define Baseline to show the Define Baseline submenu Figure 7 14 from which all the manual editing commands are selected HPLC1 lt lt Ready gt gt File Marl ET Cut Graph cApyramidipdfA387 571 pdf Analyze gu Calibrate Calibrate Define Baseline Baseline Draw Baseline Define Zone Codes E Metr Integrate Integ seauence l Calib Figure 7 14 Baseline Editing Submenu Commands 19 955 18 If the foreground chromatogram has already been integrated it will already be marked with integration peak code labels The Display Attributes command settings determine whether or not these labels and corresponding baseline tics will be displayed You can use Display Attributes to select the information you wish to see concerning previous integration Generally you will want to have all existing baseline labels visible when manually reviewing and editing the integration
487. y software diskettes To ensure that the card is mounted correctly turn the PC power OFF open the computer and remove the Host Card from its position in the bus recheck the serial number if you have not already done so and replace the card in a different slot position if one is available taking care to firmly and fully insert the connectors on the card s bottom into the slot If another slot is not available re insert the card into the same slot position used previously Before attempting to restart Data Ally check the Windows SYSTEM INI file as described in Section 17 1 4 above if you have not already done so You should also check the Virtual Memory specification for the Windows swap file as described in Section 17 1 4 since this may also affect the PC s ability to load Data Ally Once the correct Windows setup is verified restart the computer as described above and reinitialize Windows and Data Ally If the Serial Mismatch repeats it is possible there may be an incompatibility between the I O interrupt settings and DMA channel settings used by other non Data Ally cards or interfaces in the PC and those required by the Data Ally Data Ally Card Data Ally uses the following settings Interrupts IRQ 10 and 11 defaults DMA Channels 1 and 3 Two lines in the System INI file in the 386Enh section set the IRQs for Data Ally Their default values are VPTDTimerlRQz10 VPTDCommIRQ 11 Should you need to change the IRQs you may reposit
488. yed to the current program screen or function being used Figure 13 1 shows the initial Help display keyed to the Graph screen which deals with explaining chromatogram manipulation and other graphical functions You can of course select any Help topics at any time once any Help screen is being displayed in an open window gt To see a listing of main Help topics click the Contents button on the Help window command menu The Contents listing window will appear Figure 13 2 showing all the primary Help topics available 223 Data Ally Chromatography Manager Operators Manual HPLC1 lt lt Ready gt gt View i Pyramid Help ING File Edit Bookmark Help Help Instructions Help Features Unique to Pyramid How to use Help Help Files Overview Using How To Tutorial Topics Using Help Bookmarks Adding Your Own Notes to Help Topics How To Use Pyramid 8 Tip How To Tutorial Topics System Overview Topics System Configuration Change the System Parameters and Defaults Note Select these options before using the Searcit Configuration Topics How To Configuration Topics Pyramid Screens Information commands and Parameters on each screen anh pen Co a BEC er wuncnu Figure 13 2 Help Contents Index Window gt To search for a specific desired topic in Help click the Search button on the Help window command bar menu The Help Search dialog Figure 13 3 will appear HPLC1 lt lt
489. you exit Data Ally you can choose to either stop operation of the Data Ally system while remaining in Windows without affecting any other applications which may be running in Windows or 98 Data Ally Chromatography Manager Operators Manual you can exit Windows to DOS If you exit to DOS you will end the current Windows session and all other applications which may be running in Windows will be stopped as well gt To exit Data Ally press the UTIL SoftButton on any Data Ally screen to switch to the Utilities screen and click on Quit in the Command Menu Bar When the Quit submenu appears click on Exit to Application When you exit Data Ally any runs currently in progress in Data Ally will be terminated automatically 99 Data Ally Chromatography Manager Operators Manual 7 0 Chromatogram Display Review and Editing Graph Screen The heart of the Data Ally software is the GRAPH screen which shows a visual image of what is happening in the currently viewed channel If live data acquisition is in progress the Graph will show trace s of the running chromatograms which are updated in real time If no live run is being captured but the Graph is being used to reprocess review or edit chromatogram files traces of those files and any associated baseline codes or annotations will be displayed As many different windows as desired can be shown in a single Graph screen display in order to observe different portions of chromatograms at the sam
490. you may then adjust them as needed Integrate Slope Sensitivity 19 uV s Slope Interval s 5 Baseline Drift 5 uVis Noise Reject 30 ims Minimum Peak Height i000 ju Minimum Peak Width 5 s Minimum Peak rea 1 00 iuVs View Only Dropline Skim Ratio 10 0 Figure 9 2 Integration Algorithm Parameter Fields 9 1 2 1 Algorithm Parameters The Integration Algorithm parameters are defined as Slope Sensitivity The value of baseline slope first derivative at which the integrator determines the start of positive value on leading edge or the end of negative value on trailing edge a peak Beginning and end points of peaks are detected as the first point or bunch of points found at which the slope drops below this slope threshold value Figure 9 4 The default range for slope sensitivity is zero to 1 000 000 microvolts sec or zero to 1 Volt sec As the value for slope sensitivity decreases the sensitivity of finding peaks increases and smaller or broader peaks are detected 159 160 Data Ally Chromatography Manager Operators Manual Millivolts 1450 1460 1470 1480 1490 1500 1510 1520 1530 15 40 Minutes WLI 987 5 1 pdf Figure 9 3 Use of Slope Sensitivity Parameter Slope Interval The number of consecutive bunched points which are analyzed for each slope derivative computation when analyzing baseline slope If the slope interval increases the sensitivity of finding
491. yramid cfg E HPLC Timebase PL L Figure 5 8 Add Component Dialog Box This dialog presents a listing of all possible system components which are possible to install via Configuration given the set of drivers supplied with this version of the Data Ally software This listing appears in the menu box on the left side Each type of component e g detector pump autosampler GC CE etc appears as a separate listing To install a component first click the left mouse button on the desired item category on the left listing box to highlight it the right box marked Drivers will immediately show a listing of all items in that category Begin installing a second analog input by clicking on Input Signal in the left list box and then on the Analog item which appears in the right box to highlight it When both items are highlighted click OK to add the new item to the existing Components list or click OK to CANCEL The dialog will close and the Components Setup dialog will be displayed again Figure 5 3 Note that a new item a second Analog Input now appears in the Components list You can proceed to use the SETUP button to name and describe the second analog input in the same manner used to configure the first input above HPLC1 lt lt Configure gt gt File Component Configuration pyramid cfg Help Grapt Set Components nstalled Components Figure 5 9 Component Setup Dialog After Adding Second Ana
492. yramid pdfip36120 m pdf 4 Em FILENAME ICONS LIST ALL LOADED CHROMATOGRAMS Method EOREGROUND FILE IN CURRENT REGISTER STACK ae IN TOP LEFT STACK z POSITION Sequence Calib Utilities HPLC1 Timebase HPLC1 Edit Minutes TB2 cpyramid pdfip35120 m pdf UM Ms capyramidipdfa87 57 1 pdf c ipyramid pdfical 1Ois pdt Timebase ECD c pyramid pdfimanh p35 pdf vili Millivolts TB2 Edit ren Fa Figure 7 5 Chromatograms Loaded into Register Stack The first chromatogram register s in the stack will usually have names associated with detectors whose signals are physically connected to those registers via the Communications Processor Detector names are assigned in configuration for each channel and assist you in identifying each trace during live data acquisition Up to four of the registers can be assigned input names as well as a fifth register which can be designated as a Reference register for automatic loading of a reference chromatogram during live runs Note that if any detector input register is assigned a display units scheme in Configuration different from the normal voltage units whenever that input register s contents are shown as the foreground file the signal y axis will become labeled with the units appropriate for that input It is possible to place additional chromatograms into stack registers for concomitant display during live detector signal input if desired Whenever a file is loa
493. ze and order to avoid the need for further adjustments later on column order and width settings associated with the default method will always be retained when Data Ally is started To change column order place the mouse pointer on any column header button to be re positioned in the table and hold down the left mouse button now drag the column to its new position and drop it by releasing the left mouse button The table will immediately be redrawn with the column in its new position Note that the pointer cursor will change while a column is being dragged to help you determine in what position you will be dropping the column To resize any column move the pointer cursor to the vertical boundary between any two column header buttons until the pointer changes to a left right arrow cursor Now hold down the left mouse button and move the special resize cursor to the left or right to expand or reduce the width of the column selected when the desired size is reached release the left mouse button and the table will be redrawn showing the column with its new width setting You can use these tools repeatedly to set the order and width of any columns in the default method Note that the reorder and resize tools are also available outside of Configuration mode for modifying the table columns at any time during operation If the existing names shown on all the column buttons are not satisfactory or you would like to assign alternative names or des

Data Ally User`s manua– - Scientific Systems

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Data Ally User`s manua– - Scientific Systems