Polar Qualification System Evaluation Software User's Manual
Contents
1. Write the desired mark into the Mark field of the first spectrum Press the right mouse button on the Data Sheet area and activate the Copy Data Sheet command Press the right mouse button again and activate the Paste Data Sheet to All command The mark of the first spectrum is copied to the Mark field of the other spectra in one step Save the spectra to keep the marks If you repeat the above procedure on another group of spectra with a different mark then you can load the two groups of spectra into the same spectrum window and do the Automatic Range Optimization see EvaluatelRange Optimization Automatic Buttons Serial Number Every spectrum in the Spectra List is given a number in the Mark field according to the order of the spectra The Mark is printed near the quality point and so it helps to identify the quality points on the printed pages File List There are some processes which need more spectra e g averaging In these cases this button can be pressed and the file list window shows which files took part in the given process Operations If the selected spectrum is processed i e at least one process has been performed on its spectrum data this button is enabled Pressing it the Operations window appears in which all the processes of the spectrum are listed This is a kind of history of the spectrum 16 Classes The Classes and Subclasses dialog window appears There you can modify the class and subclass struct2. FilelOpen s shortcut is Ctrl O The technique of holding the left mouse button pressed and moving the mouse pointer is called dragging The mouse should be dragged to the required menu item to select it When dragging through a submenu each active menu item under the mouse pointer is highlighted in turn The highlighted item can be activated by releasing the left mouse button on it 3 2 Tool bar The tool bar is located under the menu bar and contains the so called speed buttons These buttons makes your work faster because a lot of frequently used menu commands can be activated directly just by clicking on these buttons by the mouse The speed button cannot be pressed if the procedure that belongs to it is not allowed to activate in the given situation see inactive menu items in the previous chapter 3 1 Menu The speed buttons and the corresponding menu items or options are listed below S File Open E Settings Plot Type EJ File Save A Settings Scale 8 File Print Settings Spectrum Info fa File Print Preview E Settings Classes El File Exit e Edit Cut E Point Method Edit Copy e Line Method fa Edit Copy All e Surface Method Ba Edit Paste 00 Edit Undo Evaluate Auto Range Opt Sl ra a Edit Redo wih Evaluate Auto Sequence Opt 3 3 Status bar The status bar is located at the bottom of the main window It displays information about the status of the current process e g
3. Fourier transformation Fourier Transformation The status bar shows the positions of the two cursors on the spectrum window as well 3 4 Pop up menus The so called pop up menus can be activated by pressing the right mouse button in special cases e g in the spectrum info window to cut copy and paste the data sheet They behave just like the pull down menus the difference is that they appear at the position of the mouse pointer so you do not have to move the mouse pointer up to the menu bar 3 5 General properties of the windows A window can be selected by clicking on it with the mouse Pressing the icon at the top left corner of a sizable window a pull down menu appears You can select commands to change the size the position and the state of the window or you can close it The position of the window can be modified by picking it up at the top horizontal title bar and dragging it with the mouse If the window is sizable its size can be changed by picking up its frame and dragging it The state of the window can be set either by the appropriate menu command or by the buttons described below These buttons are located at the top right corner of the window El Minimized It shrinks the window into an icon on the Windows desktop Bl Maximized It sets the size of the window to its maximum value i e the window fills up the whole screen area A Normal It returns the window to its previous size before it was maximized or
4. SPE SPT SPC DA DAC TE TEC GFF and TXT The files located in the set directory and match the filter are listed in the file list box on the left side of the window Not only one but also several files can be selected at the same time Click on the filename you want to select in the file list box Multiple selection is possible if the Shift key continuous selection or the lt Ctrl gt key not only continuous selection is pressed during selection clicks The selected files are highlighted You can select and open any file from the file list by double clicking it with the mouse The number of the selected files is displayed under the Cancel button According to the Plot property Plot option buttons the selected files are loaded into separate windows single plot or into a common window multiple plot When opening the Open dialog window the filter is set to the extension except the TXT extension which was used at the last file opening Incompatible spectra 1 e different number of data cannot be loaded in the same spectrum window Buttons OK The selected files are opened and the Open dialog window closes Cancel The Open dialog window closes Save The Save dialog window appears where you can save the active spectrum into the selected directory with the selected extension The path and filter selection is the same as in case of the Open dialog window The only difference is
5. are a vertical line and a horizontal one The cursors can be moved with the mouse after catching either of them with the mouse pointer pressing the left mouse button or by the left and right arrow keys on the keyboard arrow keys only available 1f not polar scale is used If you just use the arrow keys you can move the one cursor 1f you press the Shift button and use the arrow keys at the same time you can move the other cursor The current cursor line positions are always displayed in the status bar The cursor positions can also be set in the Manual Range Optimization window by entering the x axis value in the proper edit boxes see EvaluatelRange Optimization Manual There may be several spectrum windows in the main window at the same time but only one of them is selected This is the so called active spectrum window The spectrum window always has a selected spectrum the active spectrum It is illustrated with different color by default A spectrum from the spectra in the spectrum window can be selected in the Spectrum Info window see SettingsISpectrum Info or by clicking on the curve of the spectrum If the mouse pointer does not move for at least half a second on the plot area the name of the closest spectrum is displayed at the mouse position 4 Description of menu commands Activating the menu commands below either a dialog window appears or a procedure is performed immediately 4 1 File menu Open Ctrl 0 Save Ctrl S Save Al
6. in the section are weighted with the distance between the center and the given position in the section raised to the second power In case of Fourier smoothing you should type the so called cut off freguency The spectra are Fourier transformed then the Fourier spectrum data below the cut off freguency are transformed again with the Inverse Fourier transformation This is a kind of low pass filtering The caption of the window shows the selected smoothing method Buttons OK The selected smoothing process is performed with the spectrum on all the spectra of the active spectrum window Cancel The Smooth dialog window closes No transformation is performed Derivation The derivation is an irreversible transformation that emphasizes the fast change in the curve of the spectrum There are two kinds of derivation in the submenu First Derivative and Second Derivative After choosing one of them a dialog window appears where you can type the length of the section in points which is the parameter of the processes just like at smoothing see TransformiSmooth It defines how many neighboring points are used in the process The possible values are in the 3 49 range The wavelength range gap that belongs to the section is displayed in the bottom edit box In case of the First Derivative the value of each point is replaced with the difference of the values measured at both ends of the section divided by the length of the section In case of the Second Deri
7. seen on the screen The size of the spectrum window can also be set These values width and height determine the initial size of the new spectrum windows after opening The size is given in pixels There are two other options regarding the illustration The spectrum data on the polar plain can be plotted clockwise or contra clockwise On the other hand there is a possibility to draw line between the points in the plot The color palette can be set in the Colors dialog window Colors button Buttons OK The current options take effect and the Options dialog window closes Cancel The Options dialog window closes Colors The Colors dialog window appears where the color palette can be set see the description of the Colors dialog window above at the Plot Type item Default The current options are replaced by the default options 17 Register The Register dialog window appears where you should type the registration code you received when purchasing the program If the registration code is right the user defined identification string appears in the title bar of the main window and on all printed pages Change Password The Change Password dialog window appears where you should type the new password You should type the new password once more confirmation and if the two entered strings are the same the old password is replaced by the new one i e next time you can only use the program if you type the new password after starting the program
8. started Before starting the installation of the program please read the notes below 2 1 Installation The POS32 Evaluation Software can be found on the floppy disk enclosed with this manual To install it on the hard disk drive C of your computer just run the AMNSTALL BAT file 1 Insert the floppy disk into drive A 2 Change to drive A In DOS mode type A Enter 3 Run the INSTALL BAT file in DOS mode type INSTALL lt Enter gt During installation a new directory is created with the name POS32 on the hard disk and the POS32 EXE program and the PQS32 CFG that contains the registration code are copied into it 2 2 Password protection The POS32 Evaluation Software is password protected It means that without entering the proper password after starting the program you are not allowed to use any functions of the program When starting the program the initial picture appears It is closed automatically after five seconds or you can close it earlier by clicking with the mouse or pressing any key on the keyboard Then the password dialog window appears where you can type your password You cannot see what you type only lt gt characters appear showing how many characters you have already entered If you have typed your password press lt Enter gt or the lt OK gt button If the password is wrong you get a warning message and then you can try to type the password again or by pressing the lt Exit gt button or the lt Escape gt k
9. typical sequences of commands described below as some examples to show how to use the PQS32 Evaluation Software The user may use the software in different ways as well according the given requirements General steps Start the software POS32 EXE Enter your password Open one or more files in one or more spectrum windows FilelOpen Change spectrum information do arithmetical operations transform and evaluate spectra Illustrate the obtained spectra in the required way SettingslPlot Type Scale Save the modified edited transformed evaluated files FilelSave Print the spectra edited transformed evaluated files FilelPrint If you finished the work quit the program FilelExit Steps to fill and save the spectrum info of the loaded spectra Open the Class dialog window Settings Classes Edit classes and subclasses and or open a class file SettingsIClasses Open button Open Spectrum Info window SettingsISpectrum Info Fill in the Data Sheet and the Comment fields Save the changed files FilelSave Steps to do arithmetical operations with spectra Select the Arithmetic menu title and choose the required operation Basic Operations Spectrum Operations Absolute Value Negative Values Only Average Deviation Steps to transform spectra Select the Transform menu title and choose the required transformation Smooth Derivation Normalization 29 Fourier Transformation MSCI1 MSC2 SNV NPC Steps to evaluate
10. you select the first item in the spectra list Open Spectrum the Open dialog window appears where you can select the spectrum for the spectrum operation 18 Buttons OK The selected operation is performed with the spectrum on all the spectra of the active spectrum window if the spectra are compatible with each other The new values are calculated point by point e g the first point of the selected spectrum is added to the first points of the spectra in the active spectrum window then the second etc The only exception is if you select division and there is a zero value in the selected spectrum In this case the division is not performed Cancel The dialog window closes No operation is performed Absolute Value Every point of the spectra in the spectrum window is replaced with the absolute value of it This arithmetical operation is irreversible Negative Values Only Every positive point value of the spectra in the spectrum window is replaced with zero This arithmetical operation is irreversible Average The spectra in the spectrum window are replaced by the average spectrum Its points are calculated from the points of the original spectra by taking the average of the y axis values at every x axis value This arithmetical operation is irreversible This command can only be activated if there are more than one spectrum in the spectrum window Standard Deviation The spectra in the spectrum window are replaced by the standard
11. POS32 Polar Oualification System Evaluation Software Version 1 40 User s Manual Copyright METRIKA Hungary 2001 List of contents Ty TO tt Cee 0 tt NENEK NB Nm 3 2 Getting started ee aa Aa Naaah 3 2 Instal at On senen Sea an na Nan aa ss smu E 3 2 2 Password protectiOn 1414 NN SNN NN AN NN SNN lis 3 2531 Registral oTe enda na EN NN NB uu hese Coates 3 3 User ANE FACE A BNN NB AE NO 4 IL MODA ea eU BEN ates e RB NAN 4 Bes Oo bara an en an an ss ln luna 4 II LACUS Di NN RN NN 5 345 Pop Up MENU O RN EN 5 3 5 General properties of the windowSs oooomoo eea i aia pinia 5 3 6 Spectrum Wind wa NN EN NN ANN NN Ne pa A aE 7 4 Description of menu commands o oooomoo mann 8 AT A ini ONO NR 8 A22 NN 12 AS Settings Mel cano NN uga 14 44 Anth MEC Menu tacon ARA NN A E A e Ea 18 4 5 AAA A A si 19 4 6 A E RN 22 AI WindOW MEU lnea Basted tea Isis 28 Dp OPCLAtOM tt ia AL es A EA su NN 29 1 Introduction Welcome as a POS32 user We hope that you will be familiar with the POS32 Evaluation Software soon and it can really make your work with the spectra faster and more effective The POS32 Evaluation Software is a 32 bit Windows based software with all the advantages of this operational system The user friendly graphic interface makes it possible to handle several spectra at the same time without any confusion We wish you pleasant useful and successful work with the PQS32 Evaluation Software 2 Getting
12. The Color by Mark checkbox makes it possible to plot the spectra and the ellipses and the corresponding quality point groups with different colors Pressing the Colors button the Colors 14 dialog window appears where you can set the color palette The colors are determined by the so called RGB numbers i e the intensity values of the Red Green and Blue contents of the given color Since the intensity range is 0 255 for all the three basic colors there are 16777216 possible colors available in the software The 16 colors of the palette are listed on the left side of the window You can select the index number of the color you would like to modify in the Index combo box There are the actual color and the new color drawn in the Color Setting panel Changing the Red Green or Blue content of the new color it is refreshed automatically If you press the OK button in the Color Setting panel the new color replaces the old one at the selected index in the color palette Pressing the Default button in the Color Setting panel the default colors are set Any change in the color palette remains only if you close the Colors window by pressing the OK button The way of data selection can be set in the Data Selection option button panel There are four possibilities to select data from the spectra All Points All points of the spectra are plotted even if there are omitted or zero points Non Selected Points are Zeros All the points are plotted but
13. The maximal length of the password is 16 characters 4 4 Arithmetic menu Arithmetic Basic Operations gt Spectrum Operations gt Absolute Value Negative Values only Average Standard Deviation Each arithmetical operation can be deleted by the EditlUndo command even if it is an irreversible operation e g Absolute Value Basic Operations There are four different basic operations in the submenu Add Subtract Multiply and Divide After choosing one of them a dialog window appears where you can type the number the so called factor which is used in the basic operation e g it is added to the spectra The caption of the window shows the selected operation Buttons OK The selected operation is performed with the factor on all the spectra of the active spectrum window The only exception is if you select division and type zero as a factor In this case the division is not performed Cancel The dialog window closes No operation is performed Spectrum Operations There are four different spectrum operations in the submenu Add Spectrum Subtract Spectrum Multiply by Spectrum and Divide by Spectrum After choosing one of them a dialog window appears where you can select the spectrum which is used in the spectrum operation e g it is added to the other spectra The caption of the window shows the selected operation The Spectra List contains the available spectra i e all spectra of all the spectrum windows If
14. Undo command Copy Plot The Copy Plot dialog window appears where you can set the parameters of the bitmap to be copied such as the width 400 1600 800 by default and the height 250 1000 500 by default in pixels as well as the font size 6 36 12 by default The plot is copied to the Clipboard in order to use it in other Windows applications The Clipboard is available only if the software is already registered Duplicate The whole spectrum window is duplicated with all the spectra spectra information selections history etc Edit Spectrum The Edit Spectrum dialog window appears where you create or modify spectra with GFF extension If the active spectrum window contains spectra with GFF extension the data of the selected spectrum appear in the Edit Spectrum window This way it is very easy to modify its data You can specify the filename and the X axis label before creating a new spectrum The line number No the possible data description and the value itself can be modified in the given edit boxes When clicking on an item in the data list the edit boxes above the list show the data of the selected item When adding replacing or removing a line at the data list the position is determined by the line number No Buttons Create A new spectrum window is created where the generated or modified data are the data of the new spectrum Then the Edit Spectrum dialog window closes Open The Open dialog window app
15. active spectrum window There are two kinds of range optimization in the submenu Automatic and Manual The automatic range optimization can be activated if there are at least two spectra in the active spectrum window Two spectra groups should be selected by the marks like in the case of the Automatic Sequence Optimization described above before starting the automatic range optimization or to get distance normalized distance or sensitivity values during manual range optimization 24 Automatic Range Optimization In the Automatic Range Optimization window you can activate an optimization process that searches for the wavelength range where the base distance or the normalized distance between the two spectra groups are the largest The spectra groups are selected according to the marks which can be set in the two mark combo boxes There should be at least two spectra groups with different marks to be able to start the optimization The number of spectra in the two spectra groups and the corresponding marks are located in the Spectra Groups panel The marks can be changed in the Spectrum Info window see SettingsISpectrum Info If there are less than 5 spectra in any of the spectra groups a warning appears before the optimization starts In the Options panel you can select the method and the handling of non selected points omit or set to zero for the distance calculation The parameters such as the first and the last wavelengths the gap the ga
16. ars which shows how the page to be printed looks like same as Preview button in the Print dialog window The preview image is drawn according to the options 11 set in the Print dialog window By clicking on the image it can be zoomed in and out with a factor of 2 Printer Setup It opens the printer setup window where you can select the printer you want to use from the ones that are installed on the PC You can set some other printer specific parameters as well Exit It closes all the spectrum windows and finishes the operation of the program When leaving the program all the options see SettinglOptions as well as the latest open and save paths and the extension are saved into the PQS32 CFG file When starting the program next time these parameters will be loaded and presented as default values 4 2 Edit menu Undo 4dd Number Redo Average Cut Copy Copy All Paste Copy Plot Duplicate Ctrl D Edit Spectrum Undo previous operation The previous arithmetical operations and transformations and the Cut as well as Paste commands performed on the active spectrum window can be eliminated step by step in reverse order The operations of any of the spectrum window can be undone after making it the active spectrum window This command can only be activated if at least one operation e g Add Number has already been performed on the spectra in the active spectrum window You can undo of the Undo steps as well
17. buttons Click on the required choice Y Checked F Not checked Check box Click on the check box to alter the state of it Any text Edit box Click on the edit box and edit the text List box Select the required item by clicking on it with the mouse Click the small arrows or drag the slider to see the other list items The up and down arrow keys can be used as well Combo box Click the small arrow to see the item list and select one of the items by clicking on it 3 6 Spectrum window The spectrum window contains the plot of the spectra In case of spectra with GFF extension see below the scales of the plot cannot be re scaled In other cases the scale of the plot can be changed by the buttons at the right side as well as at the bottom of the plot or by activating the Settings Scale menu command 4 gt a y Pressing the small arrows at the plot corners both the x and y axes can be re scaled according to the directions of the arrows Pressing this button at the middle of the right side of the plot the maximum and the automatic scale alternate 0 Pressing the rectangle button located under the previous button on the right side of the plot a rectangle shaped region can be selected in the plot by the mouse during area selection keep the left mouse button pressed There are two cursor lines in the plot Depending on the plot type see SettingslIPlot Type below there are two vertical lines or there
18. ct the method and the type of distance base or normalized for the calculation The optimization process searches for the data seguence where the base distance or the normalized distance between the two spectrum groups are the largest The numbers calculated during the optimization are listed below Seguence The current data seguence Distance The distance between the average guality points of the two spectrum groups on the guality plane Deviation The standard deviation of the guality point positions of a spectrum group Normalized Distance The distance divided by the distance plus the deviations of the two spectrum groups The maximum value of the normalized distance is 1 Sensitivity The distance divided by the sum of the two deviations The smaller the deviations are compared to the distance the larger the sensitivity is It is not calculated at zero deviations Buttons Optimize It starts the sequence optimization according to the options and parameters on the two spectrum groups The distance the normalized distance and if possible the deviations if more than one spectrum is in the group and the sensitivity are calculated in every case The best results are displayed continuously during the process in the Best Results panel The Current Results panel is refreshed at step by step Step by Step check box optimization Next In case of step by step optimization pressing this button the software calculates the numbers of the
19. cters This file format is generated by the POS32 software as data export file and it cannot be loaded 8 GFF SPE SPC SPT TE Itis a general file format The user defines the number of points max 24 the x axis scale first point difference between points the x axis label and the unit of measurement The number size is 4 bytes i e there are 7 significant digits There may be a comment up to 20 characters to describe the data point It is located after the given value The PQS32 software saves the GFF files with the PQS32 software specific header see at DA file format above GFF files are compatible with the other GFF files 1f the number of points and the x axis scale first point and difference are the same GFF files can be created either by the POS32 software EditlEdit Spectrum or manually with any text editor software The following example shows how to edit a GFF file DATA It shows that there is no POS32 software specific header 6 number of points 200 first point on the x axis 200 difference between points on the x axis Frequency x axis label Hz unit of measurement the x axis label is Frequency Hz 0 3456521 1 Impedance value at 200 Hz 0 6321548 2 Impedance value at 400 Hz 0 8567932 3 Impedance value at 600 Hz 0 9629783 4 Impedance value at 800 Hz 0 9415394 5 Impedance value at 1000 Hz 0 8703517 6 Impedance value at 1200 Hz It consists of 750 spectrum data number length
20. deviation spectrum Its points are calculated from the points of the original spectra by taking the standard deviation of the y axis values at every x axis value This arithmetical operation is irreversible This command can only be activated if there are more than one spectrum in the spectrum window 4 5 Transform menu Transform Smooth Derivation Normalization Fourier Transformation MSC1 MSC2 SNY NPC Each transformation can be deleted by the EditlUndo command even if it is an irreversible operation e g Smooth 19 Smooth The smoothing is an irreversible transformation that makes the curve of the spectrum smoother There are four different smoothing methods in the submenu Rectangular Triangular Savitsky Goley and Fourier After choosing one of them a dialog window appears where you can type the length of the section in points which is the parameter of the first three processes It defines how many neighboring points are used in the process The possible values are in the 3 49 range The wavelength range the so called gap that belongs to the section is displayed in the bottom edit box In case of Rectangular smoothing the value of each point is replaced with the average of its value and the neighboring values In case of Triangular smoothing there is an additional weight function in the calculation The closer the neighboring point is the larger its weight is In case of Savitsky Goley smoothing the points
21. dow appears where the name of the selected printer is displayed and the printer options can be set The data sheet information the gridlines the comment and the spectra list and the marks of the spectra above the quality points appear on the printed page by default while the black and white the quality point lines and the quality point ellipse options are not checked at the beginning The spectra list the quality point lines and the quality point ellipse check boxes cannot be set if there is only one spectrum in the plot to be printed Even if the comment checkbox is checked there is no comment on the printed page if the text field in the Comment window see below is empty The orientation and the line width as well as the font size 6 20 10 by default of the plot on the printed page can also be set on the printer options panel Buttons OK The active spectrum window is printed and the Print dialog window closes Cancel The Print dialog window closes Comment The Comment window appears where the three comment lines which appear on the printed page if the Show Comment checkbox is checked can be edited The comment of the selected spectrum see the Spectrum Info window can be copied in the Comment field by pressing the Comment from Data Sheet button Preview The Preview window appears which shows how the page to be printed looks like Setup The FilelPrinter Setup command is activated see below Print Preview The Preview window appe
22. e appears in the Operations window and you can perform the operations just by pressing the Perform button or skip them by pressing the Cancel button The Parameters and Options for the Automatic Range Optimization are set automatically according to the opl file Close The Automatic Range Optimization dialog window closes Manual Range Optimization The Manual Range Optimization dialog window appears where you can select omit or set to zero any wavelength ranges of the spectra in the active spectrum window There are the range information listed on the left side All Points Selected Points Selected Ranges etc and the selected and the zero ranges are listed in the list boxes on the right side of the window The caption of the active spectrum window can be found in the caption of the Manual Range Optimization window Any range can be determined either by the vertical cursors on the plot or by typing the cursor positions in the edit boxes To modify the selection press the appropriate button The selection can only be changed if the plot is in normal scale see SettingslPlot Type If the 1 cursor position has a larger value than the 2 one the two positions are automatically changed when pressing one of the range selection button or if you close the Manual Range Optimization dialog window If you set two spectra groups in the Spectra Groups panel by selecting different marks for the groups see Automatic Sequence Optimization the parameter
23. e spectrum points take part in the evaluation of the guality points In this case there are two possibilities to plot the data in the Descartes co ordinate system the column diagram and the traditional line or point curves If Polar coordinate system is selected the Method option buttons panel and the Show Quality Points Only check box appear in the Plot Type dialog window as well as the Method speed buttons become visible on the Tool bar In the polar coordinate system the evaluation method Point Line Surface should be set as well and you can do this either in the Method option buttons panel or by clicking on one of the Method speed buttons on the Tool bar The quality points of the spectra are always plotted in the Polar coordinate system If you want to see them without the spectrum data check the Quality Points Only check box Lines between the quality points can be drawn to see the order of them by checking the Quality Point Lines checkbox If the Quality Point Ellipse checkbox is checked the so called quality point ellipse is plotted which shows the deviation region of the quality points if there are at least two quality points in the plot More ellipses can be plotted at the same time if the Ellipses by Mark checkbox is checked and there are spectra groups with different marks e g spectra marked a and b The Ellipses by Mark checkbox can be set only if the Ouality Point Ellipse checkbox is checked
24. ears where you can set the necessary path toload a file The extension is NOR it cannot be modified When loading a NOR file the software checks if there is a file with the same name as the selected one but with PAR extension in the given directory 13 If there is one it is automatically loaded and the parameters read from it are written in the Sample and Comment fields of the spectrum see them in the Spectrum Info window Cancel Then the Edit Spectrum dialog window closes without any change in the spectra or generating a new spectrum Add A new line is added to the spectrum data Replace The data of the selected line are replaced with the contents of the edit boxes Remove The selected line is removed from the data list 4 3 Settings menu Settings Plot Type Scale Spectrum Info Classes Options Register Change Password Plot Type The Plot Type dialog window appears where you can define how to plot the data of the active spectrum window There are four different co ordinate systems to choose Wavelength Wave number Angle and Polar In the first three cases there is a Descartes type coordinate system in the spectrum window where the intensity is plotted as a function of the wavelength the wave number or the calculated angle In case of GFF spectra there are only two different co ordinate systems to choose Descartes and polar and the Data Selection option button panel is not visible because all th
25. econd column and the X as well as Y coordinates of the quality points in the last two columns You can set the sorting method in the Sorting option buttons panel original by filename by X or by Y Buttons Save Print Close 4 7 Window menu Cascade Close All The Save dialog window appears where you can set the path and the filename and pressing the OK button the quality point list is saved in the specified file The file extension is QPL Quality Point List The file contains the caption of the active spectrum window and how the quality points are calculated data selection method as well as the whole quality point list The Print dialog window appears where you can set the properties of the printer Setup and print the quality point list There is additional information on the printed page like in case of saving see above The Quality Point List window closes 28 Tile It arranges the spectrum windows so that they all have the same size and they fill up the whole spectrum area of the main window Cascade It arranges the spectrum windows so that they overlap each other The top of each window remains visible so it is easy to select any of them Close All It closes all the spectrum windows Those menu items and speed buttons which belong to functions that need at least one spectrum window become inactive 1 e they cannot be activated until a spectrum window is opened 5 Operation There are
26. ed spectra and their distances to the base spectrum The order of the items can be set by filename by distance or according to the original order Buttons 21 Save Print Close Recognize Next Close Ouality Points The Save dialog window appears where you can set the path and the filename and pressing the OK button the distance list is saved in the specified file The file extension is DIL Distance List The file contains the caption of the active spectrum window and how the distance 1s calculated distance method data selection and spectra location as well as the whole distance list The Print dialog window appears where you can set the properties of the printer Setup and print the distance list There is additional information on the printed page like in case of saving see above The Distance List window closes It starts the recognition process If there is a spectrum file which cannot be loaded an error message appears and you have to press OK to continue the recognition If the Step by Step Recognition check box is checked and the recognition 1s started Recognize button the next spectrum will only be checked if you press this button The Spectrum recognition dialog window closes The Quality Point List window appears The caption shows the caption of the active spectrum window The list box contains the serial number in the first column the spectra list of the active spectrum window in the s
27. ey you can quit the program If you have passed the password test you have the possibility to change the password if you feel it is necessary see Settings Change Password 2 3 Registration Every POS32 customer receives a registration code after purchasing the program This code should be entered after starting the program for the first time in the registration window see menu command Settings Register The code consists of 24 characters that contain the identification string provided by the customer in a coded form The maximal length of the identification string is 16 characters This string appears in the top caption of the program during running and on the upper line on any kind of printed page If there was no registration instead of the identification string the NOT REGISTERED message appears You should preserve your registration code in any case 3 User interface The initial picture shows the name of the program the version number and the user s identification string After a few seconds the main window appears on which the horizontal menu bar on the top of the screen the tool bar under the menu bar and the status bar at the bottom of the screen can be seen 3 1 Menu bar The menu titles are in the horizontal menu bar at the top of the screen File Edit Settings Anthmetc Transform Evaluate Window Pressing the left mouse button when the mouse pointer is on a menu title the title is highlighted and a vertical subme
28. fied it shows the date of the original measured spectrum The Class and Subclass fields are combo boxes so you can select any classes and subclasses which have been defined in the Class and Subclass dialog window see Settings Classes There is a possibility to define new classes and subclasses in the Spectrum Info window as well Type the name of the new class in the text field of the class combo box and exit the combo box by pressing the lt Tab gt key or clicking on an other editable component e g edit box and the new class is added to the class list Do the same at the subclass combo box if you want to define a new subclass Every spectrum has a mark a string up to three characters It can be used to group and order the spectra see Plot Type Options above and Serial Number button below You can type any comments in the Comment field Pressing the right mouse button on the Data Sheet or on the Comment field a pop up menu appears and you can copy and cut the Data Sheet as well as the Comment information of the selected spectrum and then paste them into another spectrum You can paste the copied information even into all the other spectra in the active spectrum window Copy Data Sheet Comment to All command This is especially useful if you want to give the same mark to a group of spectra e g before Automatic Range Optimization The procedure consists of the following steps Load the group of spectra into the same spectrum window
29. is 6 bytes i e 11 significant digits so the length of the file is always 4500 bytes The data belong to the 1000 2498 nm wavelength range with 2 nm step It is an original file format It is compatible with the SPT file format This is a general file format Galactic Since the PQS32 Evaluation Software uses spectra with evenly spaced X data only spectra with non evenly spaced X data are not supported not loaded The PQS32 Evaluation Software can handle the different types of SPC spectra but only compatible spectra with the same X data can be loaded or copied into the same spectra window Multiple SPC file can be generated by saving all the spectra in a spectrum window into one file Save All command with Multiple option It contains an SPE type spectrum and the PQS32 software specific header see at DA file format above This file format is generated by the PQS32 software It is compatible with the SPE file format It may contain not only one but also several spectra Each consists of 100 spectrum data 5 significant digits plus some additional information e g chemical data The data belong to the 800 1097 nm wavelength range with 3 nm step It is an original file format The TE spectra can be saved as TEC files one by one TECIt contains a TE type spectrum and the PQS32 software specific header see at DA file format NOR above This file format is generated by the POS32 software It is compatible with the TE file format It co
30. ition Quality Points Sequence Optimization gt Spectrum Recognition Quality Points or In case of spectra with GFF extension the Sequence Optimization menu item appears in the Evaluate menu because the quality point evaluation always uses all the points of these spectra but the sequence of the data can be changed to find the optimal evaluation In case of other spectra like SPE or DA there is the range optimization instead of the sequence optimization so the Range Optimization menu item appears Sequence Optimization There are two kinds of sequence optimization in the submenu Automatic and Manual The automatic sequence optimization can be activated if there are at least two spectra in the active spectrum window 22 Automatic Seguence Optimization In the Automatic Seguence Optimization dialog window you can optimize the seguence of the data to get maximum distance or normalized distance between two spectra groups The data groups are selected according to the marks which can be set in the two mark combo boxes There should be at least two spectra groups with different marks to be able to start the optimization The number of spectra in the two spectra groups and the corresponding marks are located in the Data Groups panel The marks can be changed in the Spectrum Info window If there are less than 5 spectra in any of the data groups a warning appears before the optimization starts In the Options panel you can sele
31. l Close Print Ctrl P Print Preview Printer Setup Exit The file formats which can be used in the software are listed below according to the extension DA It may contain not only one but also several spectra Each consists of 350 650 700 or 1050 spectrum data number length is 4 bytes 1 e 7 significant digits plus some additional information The data belong to the 400 2498 nm wavelength range with 2 nm step The wavelength ranges depending on the number of data are Number of Data First wavelength Last wavelength 350 400 1098 650 600 1898 700 1100 2498 1050 400 2498 It is an original file format The length of the filename may be even 10 characters before the da extension It is compatible with the DAC file format If you start the software with the DAID command line option the default scale of the plot will show the corresponding wavelength range not always the whole DA wavelength range In this case the different wavelength range DA files will not be compatible with each other any more DAC It contains only one DA type spectrum and the PQS32 software specific header with additional information sample operator class subclass comment list of processes selected and zero ranges etc This file format is generated by the POS32 software It is compatible with the DA file format LST It contains the x and y coordinates of the selected spectrum in two columns It is a simple list file that contains ASCII chara
32. minimized This button appears instead of the minimized or maximized button depending on the current state of the window In normal state the window does not fill up the whole screen area so you can easily activate other visible windows just by clicking on them by the mouse xj Close The window can be closed by clicking on the button at the top right corner or by pressing the lt Alt gt lt F4 gt keys at the same time or in most cases pressing the Cancel or the Close button or the lt Esc gt key also works In most cases there are graphic components in the window which you can select either by clicking on them with the mouse or by pressing the lt Tab gt key There is a so called Tab order defined that determines the selection order of the components if you press the Tab key In some cases the arrow buttons can also be used to change the selection e g select another button Pressing the lt Enter gt key the selected button is pressed If not a button type component is selected then 1f you press the lt Enter gt key the default button is pressed The default button has a little bit stronger shadow than the other buttons have The default button is usually the OK button If a component is selected there is a dotted line frame around the caption of it or the text of the component is highlighted The most frequently used graphic components are described below aa Button Click on it Dptions C Choice 2 C Choice 3 Option
33. ne and the spectra and the fitted line are compatible with each other There is a check box at the bottom of the MSC window Check it if you want to see the fitted or used MSC line as a spectrum in the active spectrum window There are two different MSC methods built in the software MSC1 and MSC2 Since the MSC line is calculated in two different ways the MSC1 and MSC2 lines of the spectra are not compatible with each other 1 e you cannot use an already fitted MSC1 line as MSC line for an MSC2 calculation The MSC calculation is performed according to the set X axis range The range can be set in the Range Selection panel by setting the minimum and the maximum values The default values are the current cursor positions The calculated MSC lines remembers the X axis range where they were calculated and if you use it as an already fitted line in an MSC1 or MSC2 operation its X axis range is automatically appears in the Range Selection panel and cannot be changed 21 Buttons OK The common MSC line is fitted on the spectra of the active spectrum window If an old MSC line is used the original line of the spectra is replaced with the selected one Cancel The MSC dialog window closes No transformation is performed Select All The whole possible X axis range can be selected by pressing this button SNV The SNV Standard Normal Variate calculation is performed when activating this menu item The result of this transformation is usually similar t
34. next data sequence The actual results are displayed in the Current Results panel Stop It interrupts the optimization process The Current Results panel is refreshed Set Sequence If the Base Distance was set in the Options the current data sequence is applied in the spectra in both spectra groups If the Normalized Distance 1s set the Best sequences window appears in which the maximum 20 best sequences are listed together with the corresponding distance and sensitivity values You can check the sequence you want to select at the check boxes located on the right side of each line The displayed list 23 together with the list of the previous operations performed on the spectra group as well as the Options can be saved in an optimization list file with opl extension or in a text file with txt extension printed or copied Save Print and Copy buttons just as the Quality point list The optimization list file is very useful if you want to apply the optimized results operations and sequence to other spectra in a fast and simple way Open The Open dialog window appears where you can select and open an optimization list file opl extension The active spectrum window is duplicated in order to keep the original situation and the files saved in the opl file are opened and copied into the active spectrum window Afterwards the operation list saved in the opl file appears in the Operations window and you can perform the ope
35. ntains only measured data points written after each other It is only an input file format the loaded data can be saved in GFF format see above The NOR files can only be loaded in the Edit Spectrum window see its description below after pressing the Open button TXT This file format is used to load user defined spectra i e spectra with different number of data and with different wavelength ranges and steps It contains the x and y axis values of one or more spectra The first column represents the values of the x axis while the other columns contain the y axis values of the spectra The first line of the TXT file contains the names of the spectra above the y values These names become the default file names when saving the spectra During loading the lines which do not contain the x and the y values are skipped automatically When saving a TXT file the data of the active spectrum and the POS32 software specific header see at DA file format above is saved in it The already saved TXT file contains only one spectrum and it has not the same file format as a simple TXT file The POS32 operating software can open both types of TXT files i e the original simple list file and the one with the header information and the compressed spectrum data Open The Open dialog window appears where you can set the necessary path drive combo box and directory list box and filter filter combo box that determines the file extension The extensions may be
36. nu a so called pull down menu appears Submenus contain menu commands or further submenus Menu items which have a small triangle at their right side activate additional submenus The menu command starts a procedure or opens a new window where you can set certain parameters and or start procedures The gray menu items cannot be activated in the given Situation e g file saving is not possible if there is no open file Both the keyboard and the mouse can be used to activate a menu command When using the keyboard the underlined character in the names of the menu items is of great importance The menu titles can be chosen by pressing the Alt key and the appropriate underlined character at the same time e g press lt Alt gt Fs to activate the File menu Selecting a menu title 1ts pull down menu opens and the list of the menu commands appears Pressing the lt Escape gt button the pull down menu closes but the menu title remains highlighted The other menu titles can be selected by pressing the lt left gt or the lt right gt arrow keys Inside a submenu the items can be selected by pressing the up or the lt down gt arrow keys A highlighted menu title or menu command can be activated either by pressing its underlined character or by pressing the lt Enter gt key There are some frequently used menu commands which have shortcuts so you can activate them very quickly by pressing the Ctrl button and an other one at the same time e g
37. o the MSC calculations It also shifts each spectrum but uses only coefficients to change a spectrum derived from the spectrum alone For each spectrum the mean m and the standard deviation s is calculated and the y values the spectrum are transformed to y m s at all wavelengths NPC The NPC Norris Pathlength Correction calculation is performed when activating this menu item The NPC window appears where the parameters of the NPC procedure can be set After pressing the OK button the second derivative spectra of the spectra in the active spectrum window are calculated according to the set gap range number of points Then the so called normalization or scaling factor is calculated for each spectrum This factor is the sum of the absolute values of the second derivative spectrum in the selected X axis range The range can be set in the Minimum and Maximum edit boxes the default values are the current cursor positions The normalization is done by dividing all original or the second derivative spectra set in the Spectra panel at each X axis point by the respective factor There is a possibility to multiply the spectra by the average factor to avoid very small numbers Multiply by average factor check box and to perform a normalization by subtraction procedure i e an offset correction at the set X axis point Normalization by subtraction check box Base Point edit box 4 6 Evaluate menu Range Optimization gt Spectrum Recogn
38. ocation may be the current directory the current directory and all the subdirectories below it or the root directory and all the subdirectories below it entire drive There are some options in the Options panel Use Mask You can use a mask during the recognition i e only those spectra are compared which have the same data in the used mask fields e g spectra measured on the same sample Step by Step Recognition The recognition can be performed not only continuously but also step by step New Window for Best Spectrum At the end of the recognition the base as well as the best spectra can be copied in a new separate window to compare them The recognition process can be followed on the Information Panel where the path and the filename of the base the current and the best spectrum can be seen together with the current distance the best distance the number of the checked and the compared spectra Buttons Path The Set Path dialog window appears where the current path can be set by clicking on a filename that is located in the desired directory Mask It can be pressed only if the Use Mask check box is checked The filename the sample the operator the date the class and the subclass can be edited There is the Data Sheet of the base spectrum at the beginning but you can change any fields of the mask The empty strings are not compared Distance List The Distance List dialog window appears where you can see the list of the compar
39. p shift and the gap broadening should be set as well The gap is the length of the range which is shifted with the gap shift during the optimization from the first wavelength until the gap reaches the last one Then the gap broadens with the gap broadening until the gap reaches the length of the whole range 1 e the difference between the last and the first wavelength The numbers calculated during the optimization are listed below Distance The distance between the average quality points of the two spectra groups on the quality point plane Deviation The deviation of the quality point positions of a spectra group Normalized Distance The distance divided by the distance plus the deviations of the two spectra groups The maximum value of the normalized distance is 1 Sensitivity The distance divided by the sum of the deviations The smaller the deviations are the larger the sensitivity is It is not calculated at zero deviations Buttons Optimize It starts the optimization according to the options and parameters on the two spectra groups The distance the normalized distance and if possible the deviations if more than one spectrum is in the group and the sensitivity are calculated in every case at every gap lengths and gap positions according to the Options The Best Results are displayed continuously during the process The Current Results are refreshed at step by step Step by Step check box optimization Next In case of step by
40. rations just by pressing the Perform button or skip them by pressing the Cancel button The Options like Evaluation and Distance are set automatically according to the opl file Close The Automatic Sequence Optimization dialog window closes Manual Sequence Optimization In the Manual Sequence Optimization dialog window you can change the data or the sequence of the data in the active spectrum window If you set two spectra groups in the Data Groups panel by selecting different marks for the groups see Automatic Sequence Optimization the parameters like distance normalized distance and sensitivity are calculated automatically in the Results panel if any change happens in the data or data sequence Buttons Double up arrow It puts the selected line up to the first position in the data list Up arrow It puts the selected line higher in the data list Double down arrow It puts the selected line down to the last position in the data list Down arrow OK Original Order Cancel Range Optimization It puts the selected line below its position in the data list The Manual Sequence Optimization dialog window closes changing the data sequence in the active spectrum window according to the manually optimized data sequence The data sequence which was present when opening the Manual Sequence Optimization dialog window is set again The Manual Seguence Optimization dialog window closes without changing the data seguence in the
41. s like distance normalized distance and sensitivity are calculated automatically in the Results panel if any change happens in the spectrum range selection Buttons Select The points in the selected range become selected points Select All All the points in the spectra become selected points Set to Zero The points in the selected range become zeros Set All to Zero All the points in the spectra become zeros Omit The points in the selected range become omitted Omit All All the points in the spectra become omitted 26 Close The Manual Range Optimization dialog window closes Spectrum Recognition The Spectrum Recognition dialog window appears where you can perform spectrum recognition i e you can find the spectrum which is the most similar spectrum to the base spectrum in a given respect The base spectrum is the selected spectrum in the active spectrum window The spectrum recognition means to find the spectrum which has the least distance from the base spectrum First of all the distance should be defined It may be Eukledian Mahalanobis or Polar If you select Polar the method should also be chosen Point Line or Surface The distance is calculated according to the data selection which can be set in the Options panel The Spectra location is another important parameter to set before starting the recognition You can search for the closest spectrum among the loaded spectra i e all the spectra in all the spectrum windows The l
42. spectra Select the Evaluate menu title and choose the reguired item Range or Seguence Optimization Spectrum Recognition Ouality Points 30
43. step optimization pressing this button you can have the computer calculate the numbers of the next range selection The Current Results are refreshed Stop It interrupts the optimization process The Current Results are refreshed Select If the Base Distance was set in the Options the current range selection is copied to the spectra in both spectra groups and the cursors show the selected range If the Normalized Distance is set the Best ranges window appears in which the maximum 20 best ranges are listed together with the corresponding distance and sensitivity values You can check the ranges you want to select at the check boxes located on the 25 right side of each line The displayed list together with the list of the previous operations performed on the spectra group can be saved in an optimization list file with opl extension or in a text file with txt extension printed or copied Save Print and Copy buttons just as the Quality point list The optimization list file is very useful if you want to apply the optimized results operations and ranges to other spectra in a fast and simple way Open The Open dialog window appears where you can select and open an optimization list file opl extension The active spectrum window is duplicated in order to keep the original situation and the files saved in the opl file are opened and copied into the active spectrum window Afterwards the operation list saved in the opl fil
44. the ones which are not selected are taken into account as zero points Non Selected Points are Omitted Only the selected points are plotted the omitted and the zero points are neglected Selected and Zero Points Only the selected and the zero points are plotted You can do the selection automatically or manually see EvaluatelRange Optimization below Scale The Scale dialog window appears where the scale of the X as well as the Y axes can be modified Buttons OK The active spectrum window is re scaled according to the current minimum and maximum values and the Scale dialog window closes Cancel The Scale dialog window closes Default The current scale values are replaced by the default scale values Spectrum Info The Spectrum Info window appears The caption shows the caption of the active spectrum window There is the Spectra list box on the right side You can select any of the listed spectra After selecting a spectrum its information data appear on the left side of the window in the Data Sheet and in the Comment field as well as its name will be the caption of the active spectrum window and that of the Spectrum Info window 15 The Data Sheet consists of several data fields Sample Operator Date Class SubClass Mark which you can modify and additional information about the spectrum guality point coordinates number of points It is indicated if the spectrum has already been processed or not The Date field cannot be modi
45. the possibility to save data as ASCII list files with LST extension Even if you do not add an extension to the filename or you type not the same extension as the one in the Filter combo box at the end of the filename the extension set in the Filter combo box is used automatically when saving the file Buttons OK The selected spectrum from the active spectrum window is saved and the Save dialog window closes If a file with the same name as typed as new 10 filename already exists in the selected directory a warning appears and you can decide if you want to overwrite the existing file or not Cancel The Save dialog window closes Save All The Save dialog window appears where you can save all the files in the active spectrum window into the selected directory with the selected extension The path and filter selection is the same as in case of the Open dialog window If the file to be saved already exists an overwrite warning appears and you can select if you want to overwrite the given file OK button the given fil e and all the remaining files All button not to overwrite the given file Skip button or to cancel the save all procedure Cancel button If there are more than one SPC spectra in the spectrum window you can save them into one file by checking the Multiple option instead of the default Single in the Save dialog window Close This command closes the active spectrum window Print The Print dialog win
46. ure There are two edit boxes and two list boxes in the window The classes are listed in the left list box while the subclasses that belong to the selected class are in the right one The selected class and subclass are written in the class and subclass edit boxes above the corresponding list boxes The classes and subclasses defined here can be used when filling out the data sheet of the spectra see SettingsISpectrum Info Buttons Add Class The item in the Class edit box is added to the class list if there is no class with the same name in the class list box Add Subclass The item in the Subclass edit box is added to the subclass list 1f there is no subclass with the same name in the subclass list box Remove Class The item in the Class edit box is deleted from the class list Remove Subclass The item in the Subclass edit box is deleted from the subclass list Open The Open dialog window appears where you can choose which file to open The file extension is CLA Classes Save The Save dialog window appears where you can set the path and the filename to save the classes and the corresponding subclasses data in Close The Classes and Subclasses dialog window closes Options The Options dialog window appears where some important properties of the program can be modified You can set the language of the program in the Language combo box After pressing the OK button the program will use the selected language in every string that can be
47. vative the value of each point is replaced with the difference of the values measured at the center point and the average of the values measured at the end points of the section divided by the length of the section raised to the second power The caption of the window shows the selected derivations Buttons OK The selected transformation is performed on all the spectra of the active spectrum window Cancel The Derivation dialog window closes No transformation is performed Normalization The normalization is an irreversible transformation that helps to compare different spectra There are two kinds of normalization in the submenu By Subtraction and By Division After choosing one of them a dialog window appears where you can type the base point The default position of the base point is the position of the first vertical cursor so you can set it by dragging the cursor or by typing it in the edit box The transformations are performed on all spectra in the active 20 spectrum window In case of subtraction the value of the spectrum at the base point is subtracted from the whole spectrum After normalization by subtraction all the spectra should have 0 at the base point In case of division the whole spectrum is divided by the value of the spectrum at the base point After normalization by division all the spectra should have 1 at the base point Buttons OK The selected transformation is performed on all the spectra of the active spectrum
48. window Cancel The Normalization dialog window closes No transformation is performed Fourier Transformation Inverse Fourier Transformation The Fourier transformation can be performed on one spectrum at a time If there is more than one spectrum in the active spectrum window anew window is created and the selected spectrum of the previous active spectrum window is Fourier transformed After the transformation the Fourier spectrum of the spectrum appears in the plot window In this case instead of the Fourier transformation menu item the Inverse Fourier Transformation item appears in the menu Activating it the Fourier spectrum below the cut off freguency is transformed back to normal spectrum The cut off freguency can be set just like the base point see Transform Normalization Buttons OK The selected transformation is performed on the selected spectrum of the active spectrum window Cancel The Fourier Transformation dialog window closes No transformation is performed MSCI1 and MSC2 The MSC Multiplicative Scatter Correction dialog window appears where the MSC line of the spectra can be calculated You can choose if you want to calculate the MSC line of the spectra in the active spectrum window New Straight Line or you want to replace the MSC line of the spectra to an already fitted MSC line e g a line of an other group of spectra You can select the already fitted line from the Fitted lines combo box if there is at least o
49. with activating the Redo command Redo previous Undo operation The previous Undo commands performed on the active spectrum window can be eliminated step by step in reverse order This command can only be activated if at least one Undo operation has already been performed on the spectra in the active spectrum window Cut The selected spectrum is cut from the spectrum window This command can only be activated if there are more than one spectrum in the spectrum window This operation can be deleted by the EditlUndo command 12 Copy The selected spectrum is copied and stored in the memory The data of the spectrum are available on the Clipboard for other Windows applications if the software is registered Copy All All the spectra in the active spectrum window are copied and stored in the memory The data of the spectra up to 32Kb the number of spectra depends on the spectrum size are available on the Clipboard for other Windows applications if the software is registered Paste The last copied spectra Copy Copy All are inserted in the active spectrum window This command can only be activated if there are spectra or at least one spectrum in the memory which has been copied before and are compatible with the spectra which are in the active spectrum window E g a spectrum with DA extension is not compatible with an SPT spectrum because the wavelength ranges are different This operation can be deleted by the Editl
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