Analyst Automation
Contents
1. App 28 20081112 Check App 28 20081119 MSAedus 138 with LS App 28 2008 MSAeduy 139 with LS App 28 200E MSAedux 139 DART 2270 with LS MSAedus 139 DART 2272 with LS Exit pep Oe p p ep p a p g a When the user engages the Import feature of LEAP Shell the Import from file dialog box will appear on screen Import from file M Import from File name tn Format Test file smart guess delimitar Mapping options C Create a new map to method Jon enze Sampling f Use an existing map CAD ocuments and Settings D4 Browse Cancel E Page 12 of 23 In this dialog box the user can immediately select the Browse button leaving the default setting for the file format as Text file smart guess delimitor and lookup the desired file The user may want to select the desired file s format before browsing for the file to narrow down the number of possible files to choose from Import from file x Import from File name o Format Text file smart guess delimitar Text file smart guess delimitor ha prom Excel C Create dhL file Use an existing map C Documents and Settings DA Browse The image below shows the case where the user has left the default setting for the file format as Text file smart guess delimitor and began searching for the CSV file Look in E Sample Lists for LEAP Shell e e EE Hy2. Samplin lonSense Samoplin lonSense Samoplin lonSense Samoplin lonSense Samplin Pal Tip Tray Pal Tip Pos Tip 01 Tip 01 Tip 01 Tip 01 Tip 01 Tip 01 Tip 01 Tip 01 Tip 01 Tip 01 Tip 01 Tip 01 Tip 01 Tip 01 oon 0 S j N 500 500 500 500 500 500 500 500 500 500 500 500 500 500 Pal Transit speed SampleTray Sample01 2 Sample01 3 Sample01 4 Sample01 5 Sample01 6 Sample01 7 Sample01 8 Sample01 9 Sample01 10 Sample01 11 Sample01 12 Sample01 13 Sample01 14 Sample01 15 SamplePos DataFileN ame Analyst WIFF File Name_002 Analyst WIFF File Name_003 Analyst WIFF File Name_004 Analyst WIFF File Name_005 Analyst WIFF File Name_006 Analyst WIFF File Name_007 Analyst WIFF File Name_008 Analyst WIFF File Name_009 Analyst WIFF File Name_010 Analyst WIFF File Name_011 Analyst WIFF File Name_012 Analyst WIFF File Name_013 Analyst WIFF File Name_014 Analyst WIFF File Name_015 Mass_of_In 206 04 206 04 206 04 206 04 206 04 206 04 206 04 206 04 206 04 206 04 206 04 206 04 206 04 206 04 Formula C HEBF303 C7HEBF303 C HEBF303 C HEBF303 C HEBF303 C7HEBF303 C HEBF303 C HEBF303 C HEBF303 C HEBF303 C HEBF303 C HEBF303 C HEBF303 C7HEBF303 At the bottom of the LEAP Shell window the DART Warm up Time set through the LEAP Shell Method will be displayed The time posted in t
3. changes and exit from the configuration ena Instruments Instrument selectio FAL r Injecthethod Inject method Run Time s fis no pause sampling Rey 2 4 LPM Analyst default This project of API Instrument Default Example lonSense DART Sample Eval 05202008 lonSense DART Sample Eval 061792008 Show Hide columns Ok x Cancel Page 7 of 23 Creating a LEAP Shell Method to Include an Analyst Acquisition Method For general questions about creating a Shell Method refer to the LEAP Shell 3 for AutoDART Manual The Analyst specific sections in the LEAP Shell Method are the Analyst Data acquisition section and the DART Warm up Time min that appear at the bottom of the page In Analyst Data acquisition section the Instrument selection will be Analyst and the Analyst Acquisition Method will be chosen from the drop down box labeled DataAcq Acquisition method Instrument selectio FAL ka InjectMethock Inject method Run Time s fis no pause sampling Aew 2 4 LPM Default Show Params Instrument selectio Analyst Datadteq Acquisition method Acquisition Time 20 10 s Sciex Test Meth dam ha Default show Params Br agrecegrenserepagtessceesrpsnpsaeesaead VUavacessecarsnecencennesnrsnneseeseunstnerseasessuessnsaneraseccuuensnauuesuuranesaneensceceuesssnssraneeateaassensansauesucaueranseraeccsn
4. not the m z value should be entered here o Note A value of 1 may also be entered in this Mass_of_Interest field provided that a molecular formula for the analyte of interest is contained within the sample information The only way that the user may create a custom column labeled Formula is to import a sample list into LEAP Shell This feature is explained in greater detail in the Importing a Sample List into LEAP Shell from a File section of this manual Method Pal Tip Tray Pal Transit speed Sample Tray SamplePos DataFileN ame __1 Analyst Sample Name TonSense Sampling App 28 Tp 01 1 50 o Sample0l v 1 Analyst WIFF File Name_001 500 Note There is a limit of 80 characters total for the length of the DataFileName entered in the LEAP Shell sample list plus the name of the Analyst Project that LEAP Shell is configured to If the combination of these two names exceeds 80 characters in length the quality of the MSRedux XI printout will be reduced Page 9 of 23 Importing a Sample List into LEAP Shell from a File The sample list file to be imported into LEAP Shell may be saved in any of the following formats e Tab delimited text file e CSV file e Microsoft Excel file e XML file Pictured below is an example of a CSV file opened in OpenOffice org s Calc program The general components found in the LEAP Shell sample list are contained in the CSV file with the addition of the F
5. 0 s When a DART Warm up Time is set the following will take place DART Control will automatically be turned ON by LEAP Shell at the beginning of EVERY sample batch in the LEAP Shell Queue and LEAP Shell will wait for the set warm up time e The DART status automatically changes to RUN e The DART heater is automatically turned ON and set to the Run Time heater temperature set through the DART Method e The DART Run Time gas is automatically selected Note These events also occur even if no DART Warm up Time is set e g set to 0 min Page 8 of 23 Setting up the LEAP Shell Sample List to Acquire Analyst Data The user has two options to create a sample list to run in LEAP Shell 1 Directly within LEAP Shell by filling in the required fields 2 By importing a file into LEAP Shell This sample list set up assumes 1 sample analysis 1 data acquisition per Analyst wiff file Creating a Sample List Directly in LEAP Shell for Analyst Data The first option is straight forward Shown in the image below are the generic fields the user will need to fill in when creating a sample list directly in LEAP Shell for Analyst data acquisition e The LEAP Shell SampleID will be the Analyst Sample Name e The DataFileName will become the Analyst wiff file name e The Mass_of_Interest column is reported to MSRedux XI for the data processing The mass of the analyte in Daltons
6. 2 3 4 12 26 2008 10 28 00 Analyst Samp Analyst Samp 5 6 7 8 9 Sample Name Vial Position Status Acquired Acquired Acquired Acquired Acquired 12 26 2008 10 28 52 Analyst Samp Analyst Samp 12 26 2008 10 29 43 Analyst Samp Analyst Samp 12 26 2008 10 30 34 Analyst Samp Analyst Samp 12 26 2008 10 31 38 Analyst Samp Analyst Samp 12 26 2008 10 32 29 Analyst Samp Analyst Samp 10 Acquired Acquired Acquired 1 2 3 4 6 9 4 2j Acquired m Oo Acquiring 1 bd Standby deh Abort Page 21 of 23 DART Shutdown Feature At the end of any submitted batch in the LEAP Shell Sample Queue DART Control is triggered by LEAP Shell to shutdown e DART Control is placed into Standby mode with the heater ON e The DART heater will be turned off in 3 minutes after being placed in Standby by the DART Shutdown feature e DART Control will be completely turned OFF in a total of 5 minutes In the event that e There are multiple sample batches in the queue the DART will not be shut down until the last sample batch submitted has finished running Note If a DART Warm up Time has been set in the LEAP Shell Method it will be executed at the beginning of every sample batch o Itis suggested that for multiple sample batch submissions to not include a DART Warm up Time in the LEAP Shell Method For this case it is advi
7. Automated Real time MSRedux XlI in the LEAP Shell Context Install MSRedux X Follow the Quick Start Guide for MSRedux XI for downloading installing licensing and running MSRedux XI Setting the Default MSRedux X Parameters for the Automated Mode of MSRedux X Be sure to manually set in MSRedux XI Parameters the settings that you wish to execute in the automation non interactive mode of MSRedux XI x MSRedux XI Parameters Analyte of Interest Mass of Gnalyvte of Interest 1 Mass uncertainty 0 4 Printing d Auto print PDF reDirect v2 Seleck Another Printer Report File Format PDF O PNG Exit the MSRedux XI user interface by selecting File gt Exit MJ Do you really want to exit MSRedux XI 1 3 xX i Do you really wank to exit MSRedux I 1 37 When you see the screen shown above upon exiting MSRedux X the MSRedux XI Parameters set manually will be saved as the defaults for the automation non interactive mode of MSRedux XI Click Yes to exit Page 3 of 23 Install LEAP Shell for AutoDART Follow the LEAP Shell 3 for AutoDART Manual for downloading installing and licensing instructions and for general LEAP Shell settings Note A PDF copy of the LEAP Shell 3 for AutoDART Manual can also be found in the contents of the LEAP Shell installation CD Setting LEAP Shell up for the Analyst Context Start LEAP Shell by double clicking the LEAPShell icon located o
8. M Configure Instrument selec Anast Datatcg Acquisition method Acquistion Time Unable to retrieve NEG G1 Scan m_z 100 500 darn Troubleshooting If you are having difficulties connecting to the PAL first make sure that the PAL power supply has been switched on and that the PAL serial cable is connected to the PC that will be controlling the PAL If you still cannot connect to the PAL restart the LEAP Shell software and then try again to connect to the PAL Page 5 of 23 Connecting to Analyst through LEAP Shell Connect to Analyst by left clicking on the Analyst icon found under Instruments in LEAP Shell and then click on Connect In a few seconds the Analyst status will change from Offline to Standby i CAD Ls am i f il A piga fe Are le b E A i a5 FAI arigi F S File View Profile Tools Log Out Help GAVE Save As Test Method description Shell Methods lonsense Sampling Sampling Wo Pause Single tip Sampling Pause single tip Sampling Pause Pickup Tip Eject Tip lonSense Sampling App 25 lonSengse Sampling App 26 Applicaton lonSense Sampling App 26 API Instrum lonSense Sampling App 27 lonSense Sampling Analyst 2 4 lon5Senze Sampling App 27 NEG Pause lanSense Sampling App 28 pe Instrument selector Instruments PAL InjectMethod Inject method Run Time e fis no pauze sampling Rew 2 4 LPM In
9. OLUMN HEADERS MAPPING TARGET COLUMN HEADERS SamplelL SamplelD SamplelD Pal Tip Pos PalTip Tray Pal Tip Tray Pal Tip Tray Pal Tip Pos Pal Tip Pos Snalyst D ataFileN ame none Pal Transit speed Sample T ray SampleT ray Sample Tray SamplePios SamplePos SamplePos Formula Analyst DataFileN ame Data ileN ame Mass of Interest Mass of Interest Hass _of Interest Formula Formula new i Do not copy first row Load map pen F By selecting Save map a Save As window will appear where the map can be named and saved to a safe location Page 17 of 23 After saving the mapping file or proceeding without saving the mapping file the LEAP Shell sample list view will appear as shown below LEAP Shell will prompt the user to name the sample list and save it under Sample Lists within LEAP Shell LEAP Shell PAL and Analyst Jeg File Edit View Profile Tools Log Gut Help Sample Lists Save as Add samples Fill Columns Select vial Submit B All Methods SampleID Shell Method Pal Tip Tray Pal Tip Pos Pal Transit speed SampleTray SamplePos DataFileName Mass_of_I Test 1 Sample z r URES E Test Custom Column lonSense Mapping Test Raclopride Mapping Test App 26 at B Raclopride XYZ Mapping Test App Raclopride Mapping Test App 25 2 B Raclopride API Instrument Data File E Raclopride CORRECT Data File Pal B Raclopride REPEAT CORRECT Da Caffeine CORRECT Data File
10. Path B Norfloxacin CORRECT Data File Pa Caffeine 10 Samples App 26 20081 Chemical Formula with Boron 10 Sat i N K KN 0 KN 0 KH 0 J EOE Boron Samples App 27 20081110 _ NEG Boron Samples App 27 20081 Single wif Files NEG Boron Sample Boron Samples App 28 20081112 Check App 28 20081119 MSRedux 138 with LS App 28 2008 MSRedux 139 with LS App 28 200 Analyst Sample Name ons MSRedux 139 DART 2210 with LS Name 16 Save as MSRedux 139 DART 2212 with LS analyst Sample Name 17 IonSq DART Samples IMPORTED SAMPLE LIST Swick MSRedux 139 DART 2213 with LS MSRedux 1310 DART 2213 with LE Analyst Sar 5 Ions vox MSRedux 1310 DART 2214 with L See SREM HANS TT _X Cancel 3 DART Samples 96 Well Plate f Y li f li li f i WUD ETENE EKET ti i ji it i K it i f KH 0 CH C0 CH KN CS CH KN CH i ED Kt 0 KN KH KY 0 KH KN KH KD KH CY KH CH KH NCH HN CH KN KB KT KA KD Page 18 of 23 Getting Ready to Run To prepare to run make sure that the DART Control software has been opened and the desired DART Method has been loaded DART Control Method N20 1 EJ File Control View Logging Help Edit Current Method 4 B N ia Load Method d D a ve Mi Gr sta New and Gas of Temp 0 Flow 100C Save S Shutdown amp Exit od N2 ONLY Method x Needle off Intermediate Grid Electrode Ele
11. RS Sample D gt SamplelD SamplelD Pal Tip Pos Pal Tip Tray Pal Tip Tray Pal Tip Tray Pal Tip Pos Pal Tip Pos Analyst D ataFileN ame s none Pal Transit speed Sample Tray Sample T ray Sample T ray SamplePos i ian onan lePos Formula ss gt FileName DEA t Import column _ aD of Interest Column name Formula Column type string ial Reference For the Reference select Analyst from the drop down box Click Ok to save the changes and create the Formula column header in the LEAP Shell Target Column Headers i eae Mapping method lonSense Sampling Spr SOURCE COLUMN HEADERS MAPPING TARGET COLUMN HEADERS SamplelD gt 5 amplelD S amplelD Pal Tip Pos Pal Tip Tray Pal Tip Tray Pal Tip Tray Pal Tip Pos Pal Tip Pos Analyst DataFileh ame s none Pal Transit speed Sample ray Sample ray Sample ray SamplePos apleFos Formula 1 Im c Apae Mase_of Interest 9 Iim po rt colum L Si of Interest Column name Formula Column type string aj Reference Analyst zl Analyst Page 16 of 23 When all of the Source Column Headers have been mapped to one of the LEAP Shell Target Column Headers select Save map at the bottom of the window to save a copy of the map for future use To complete the mapping without saving the map select Ok Import Mapping Mapping method lonSense Sampling Apr SOURCE C
12. Recent Documents Desktop all hi Documents ha i Sanat p F ee File name Import Analyst Sample List for LEAP Shellcsv Files of type All accepted tiles txt csv xls xml 3 Cancel Page 13 of 23 Once the desired file has been selected through the file browser the user must select a mapping option to link the external sample list file to the LEAP Shell sample list layout Import from file Import from File name C Cocuments and Settings DAR T user Deskto Browse Format Text file mart guess delimitor an Mapping options f Create a new map to method lonSense Sampling App 28 f Use an existing map CAD ocuments and Settings DA see Cancel To begin the mapping select the Create a new map to method option which will create a mapping that is specific to a LEAP Shell Method for the desired import file Select a LEAP Shell Method and click Next to continue If a mapping file has previously been created and saved for the type of sample list that will be imported into LEAP Shell then the Use an existing map mapping option may be selected Click Next to continue Page 14 of 23 An Import Mapping window will appear after clicking on Next in the Import from file dialog box First begin mapping the non custom Source Column Headers with their LEAP Shell Target Column Headers counterparts Import Mapping Ma
13. User Manual Integration of LEAP Shell DART Control and MSRedux XI in the Analyst Context Version 1 0 IonSense Inc January 2009 Table of Contents Eris Cath IVES RG UX U eos cesescis cconnseasensiceaiesteatessseisccevireseanieennic ese eases 3 Install LEAP Shell for AutoDART cccsscccccssssssssssssssccccccccccssssscssssccsssssseees 4 Setting LEAP Shell up for the Analyst Context cccccsscccccccccccssssssscsscsssssssees 4 Connecting to the PAL sssrinin near 5 Connecting to Analyst through LEAP Shell eeeeeeeoccccccsssssssssssccccececocossssssssssssos 6 Configuring to an Analyst Project through LEAP Shell sssssssssssssssssessssessseoe 7 Creating a LEAP Shell Method to Include an Analyst Acquisition Method 8 Setting up the LEAP Shell Sample List to Acquire Analyst Data s000 9 Importing a Sample List into LEAP Shell from a File ccccccccccsssssseees 10 The Chemical Formula Feature of MSRedux X1 sssssssssssssssssssssseees 11 Steps to Importing a Sample List into LEAP Shell from a File 006 12 Gettine Ready to RUM asinicicccicccciieeiliieiies eee eine 19 Submit the Sample List to the LEAP Shell Queue and Run ccccsssseees 21 DART Shutdown FCA CUE aseene uncwuedebixeseccunesnesesesenacecelsoase 22 Additional C OMIMICIIUS csser aa a EEEE Ea ETE tAE ETERA ai 23 Page 2 of 23 Quick Start Guide for Using
14. ctrode Current 205 Wa H H voltage oY 0 6 6Yy Oy Gas Control J Heater Control Flow Rate Current Temp Set Tira Max oC 150 off Temperature Ramp Selected Gas m ae End te 00 gue emp 7 Temp ee lee Evol sec he Run Time Min 7 fas Status Mot Running meb creut M Pressure Power use E Interlock M i Pressure Current Skate OFF Save To Current Method Page 19 of 23 In LEAP Shell check that all Instruments are in the Ready mode When connecting to Analyst through LEAP Shell the default Analyst mode will be Standby the user can Ready Analyst through the Analyst Status window i E P Al E h oe Save Save Ag Test Method description lonSense Sampling Sampling Ho Pause Single tip Sampling Pause single tip Sampling Pause Pickup Tip Eject Tip lonSense Sampling App 25 lonSense Sampling App 26 Application lonSense Sampling App 26 API Instrum lonSense Sampling Anaystz4 i lonSense Sampling App 27 lonSense Sampling Analyst 2 4 lonSense Sampling App 27 NEG Pause lonSense Sampling App 28 lonSense Sampling App 28 NEG eee ERA AA L a Instrument selection S PAL InectMethod Inject method Run Time 3 IS no pause sampling Rey 2 4 LPM Instrument selector o Analyst Instruments Analyst Disconnect g andby l Conf
15. he message is the time that the PAL will begin running the samples in the Queue This example shows a 5 minute DART Warm up Time 13 02 21 gt gt 13 02 21 gt RUNNING SAMPLE LIST 130221 gt gt Waiting for DART To Warn up Ready at 1 07 21 PM 13 03 46 gt gt The status of the Analyst data acquisition can be checked through LEAP Shell by accessing the Analyst Status window Left click on the Analyst icon under Instruments and select Status to open the Analyst Status window shown below Analyst Status Acquiring Sample fi of f Period i of i i 3 55 M Durations gt Queue Server E spected fo 00 20 3 3 fo 00 11 Method Sciex Test Meth Sciex Test Meth Sciex Test Meth Sciex Test Meth Sciex Test Meth Sciex Test Meth Sciex Test Meth Sciex Test Meth Sciex Test Meth Sciex Test Meth Elapsed Acquiring Normal Data File Analyst WIFF File Name_001 Analyst WIFF File Name_002 Analyst WIFF File Name_003 Analyst WIFF File Name_004 Analyst WIFF File Name_005 Analyst WIFF File Name_006 Analyst WIFF File Name_007 Analyst WIFF File Name_008 Analyst WIFF File Name_009 Analyst WIFF File Name_010 Start Time Sample ID Comments 12 26 2008 10 24 25 Analyst Samp Analyst Samp 12 26 2008 10 25 25 E Analyst Samp Analyst Samp 12 26 2008 10 26 16 Analyst Samp Analyst Samp 12 26 2008 10 27 07 Analyst Samp Analyst Samp 1
16. igure In the Analyst Status window click on Ready to put Analyst in the Ready mode Instruments a By y sa z x ita mm 5 di z i Acquiring Sample 1 of fi Period jo of fo OO joon00 i a LLL 2 Elapsed 0 00 00 Ready Nanna Start Time Sample ID Sample Name Yial Position Status Method Data File Comments bd Standby deh Abort Page 20 of 23 Submit the Sample List to the LEAP Shell Queue and Run View of the LEAP Shell Sample Queue 9 LEAP Shell PAL and Analyst Fie Queue View Profile Tools Log Out Help Time Stamp 10 23 50 4M Waiting 10 23 50 4M Waiting 10 23 50 4M Waiting 10 23 50 4M Waiting 10 23 50 4M Waiting 10 23 50 4M Waiting 10 23 50 4M Waiting 10 23 50 4M Waiting 10 23 50 4M Waiting 10 23 50 4M Waiting 10 23 50 4M Waiting 10 23 50 4M Waiting 10 23 50 4M Waiting 10 23 50 4M Waiting Analyst Sample Name 2 Analyst Sample Name 3 Analyst Sample Name 4 Analyst Sample Name 5 Analyst Sample Name 6 Analyst Sample Name 7 Analyst Sample Name 8 Analyst Sample Name 9 Analyst Sample Name 10 Analyst Sample Name 11 Analyst Sample Name 12 Analyst Sample Name 13 Analyst Sample Name 14 Analyst Sample Name 15 Shell Method lonSense Samoplin lonSense Samplin lonSense Samplin lonSense Samoplin lonSense Samoplin lonSense Samplin lonSense Samplin lonSense Samoplin lonSense Samoplin lonSense
17. n the Desktop BioAnalyte LEAPShell MSRedux xI1 Once LEAP Shell opens choose under Profile the PAL and Analyst profile 49 LEAP Shell no profile selected File View Profile Tools Log Out Help eE A e None Lab Manag bal and Analyst T PAL Only MSRedus with LEAP Shell Save As Please select a profile to be able to create and use J i hed i i p Saal 1 3 a Tka i z i 3 ie re eit a ee he Page 4 of 23 Connecting to the PAL In the header next to LEAP Shell it should now read PAL and Analyst for the PAL and Analyst profile that was just selected Now connect to the PAL by left clicking on the PAL icon in the Instruments bar and then clicking on Connect Within a few seconds the word Ready in green text should appear Shell Methods Saye save As Test lonSense Sampling Sampling Ho Pause Single tip Sampling Pause single tip Sampling Pause Pickup Tip Eject Tip lonSense Sampling 4pp 25 lonSense Sampling App 26 Method description Application o lonSense Sampling App 26 AFI Instrum lonSense Sampling Analyst 24 M lonSense Sampling App 27 lonSense Sampling Analyst 2 4 lonSense Sampling 4pp 27 NEG Pause lonSense Sampling 4pp 28 lonSense Sampling App 28 WEG Instrument selector F PAL 5a Inecthethod Inject method Run Time sH fis no pause sampling Rew 2 4 LP
18. nterest based on the formula The formula should be written in with element names starting with capital letters Two letter elements should have lower case second letters Number characters representing stoichiometry should follow the element Omit all non alpha numeric characters viz omit spaces underscores dashes etc Order of elements 1s not important For instance ethanol could be represented as CZn60 or CHSCAZOn Sodium must be Na andnever NA Page 11 of 23 Steps to Importing a Sample List into LEAP Shell from a File From the Samples Sample List view in LEAP Shell the Import feature is found under File gt Import or can be accessed directly by hitting F3 on the keyboard 29 LEAP Shell PAL and Analyst File Edit View Profile Tools Log Qut Help Add Cirilt h Saveas Add samples Fill Columns Benen GURI SampleID Shell Method Delete t Custom Colum ense Mapping Test SAVE AS lopride Mapping Test App 26 2 Import E3 lopride ate Mapping Test App clopride Mapping Test App 25 2 Export CIES clopride AFI Instrument Data File Print Cri P clopride CORRECT Data File Pal clopride REPEAT CORRECT Da Submit FS eine CORRECT Data File Fath Hloxacin CORRECT Data File Pa eine 10 Samples App 6 20087 Chemical Formula with Boron 10 Sai Boron Samples App 7 20081110 NEG Boron Samples App 27 20081 Single wiff Files MEG Boron Sample Boron Samples
19. ormula custom column that has been added by the user i Import_Analyst Sample List for LEAP Shell OpenOffice org Calc File Edit wiew Insert Format Tools Data Window Help Ea CGE 2 F BSAa Vixel es BB Plie e ANNIOviKheMHAle dnd Arial bello jv IB YS U 2 ah 8 3M EE O A Al el fq Sample EEE D Eo H 1 SamplaD_ Pal Tip Pos PalTipTray Analyst DataFileName SampleTray SamplePos Formula Mass of Interest 2 Analyst Sample Name 1 Tip 01 Analyst VIFF File Name O01 Sarmplelt CF HEBFSOS 206 04 3 Analyst Sample Name 2 2 Tip 01 Analyst VIFF File Name 002 Sampleli Z CF HEEFSOS 206 04 4 Analyst Sample Name 3 J Tip 01 Analyst WIFF File Mame O03 Sample0t J Cr H6BF303 206 04 5 Analyst Sample Name 4 4 Tip 01 Analyst VIFF File Name O04 Sampleli 4 CF HEBFSOS 206 04 6 Analyst Sample Name 5 5 Tip 01 Analyst WWIFF File Name O05 Sampleli 5 CFHEEFSOS 206 04 Analyst Sample Name 6 G Tip 01 Analyst WWIFF File Mame O06 Sampleli G Cr H6BF303 206 04 6 Analyst Sample Name 7 E Tip 01 Analyst VIFF File Name OOF Sample0i F CF HEBFSOS 206 04 g Analyst Sample Name g Tip 01 Analyst WWIFF File Name OOS Sampleli g Cr HEBFSOS 206 04 10 Analyst Sample Name 9 g Tip 01 Analyst WIFF File Mame OOS Sample0t a CF HBBFSOS 06 04 11 Analyst Sample Mame 10 10 Tip 01 Analyst VIFF File Name 010 Sampleli 10 C HEBFSOS 206 04 12 Analyst Sample Name 11 11 Tip 01 Analyst VIFF File Name 011 Sampleli 11 CF HEBFSOS 206 04 13 Anal
20. pping method lonSenze Sampling Apr SOURCE COLUMN HEADERS MAPPING TARGET COLUMN HEADERS SamplelD SamplelD Pal Tip Pos Ti Pal Tip Tray Pal Tip Tray Ti Pal Tip Pos Analyst D ataFileN ame Pal Transit speed Sample Tray Sample Tray samplePot lt lt lt lt 222 SamplePos area a emer A S Analyst DataFileN ame DataFileN ame Maze of Interest Mass of Interest I Mass of Interest new i Do not copy first row Load map Save map Cancel Note When creating a sample list to import into LEAP Shell the mapping process can be simplified if the user keeps the same column naming in their document as there is in the LEAP Shell sample list for the generic columns such as SampleID and Pal Tip Tray By keeping this continuity you can simply double click on each of the column names under Source Column Headers that directly match one of the LEAP Shell Target Column Headers to add them into the center Mapping column Page 15 of 23 To map a custom column into a LEAP Shell sample list map it to the new option in the Mapping column This will trigger the Import column dialog box to appear The name of the custom column will appear in the text field for Column name as it was entered into the file that is being imported For the column type select string 1 kai Ka Mapping method lorsense Sampling App SOURCE COLUMN HEADERS MAPPING TARGET COLUMN HEADE
21. sed to allow the DART to fully heat in Standby before starting the run through LEAP Shell LEAP Shell will automatically turn DART Control into Run mode e The user wishes to cancel the DART Shutdown at any time click the Cancel button in the DART Shutdown window View of the DART Shutdown window at the end of a LEAP Shell run DART Shutdown LEAF Run Finished Heater will turn off in 2 58 System will turn off in 4 58 Cancel Page 22 of 23 Additional Comments By design many of the user configurable features in the automated version of the MSRedux XI software can only be set by the interactive GUI version and are inaccessible from LEAP Shell Page 23 of 23
22. ssanaauea aucaseecasersancunguuensesansensuecsnasansusauusanenausersneuuesuesseraneuatecsuassanssuneueaseaansereueasunsurasnsaneraneecsuersnsauesuusanesansensucsanssansnranecanassesentand Bee ea oa Pr mcs en eM eae Pi dat as wel pep etn A AT EEEE asic grotesbageangeodguoigwos jwotgecugeotgsiaseonssuaypaliy sii saci gsnngrodseun ssa ysuissuagsbugnis geoterot suatstingusigeut jwolgsbegeotgsonseonsuanpalijuoe sacs gsohgeos gwen seis suoysba puougned santgseugeanseiaseatgsuiseiasbusetgsonrseseanseod yantyecs untae gretancastonetna piney sos pwotesce ts a aE Me gamo fate ats ep adr bie Rte ieatemieaie area U areas ay Pais aie ate athe POPON aie aie patente RS uy Pru yaa a ated D at ate DU at ised 4 TL ane Muh Pah Peek Pred Pasa Pred Pak Paul Paws Pres Pred Pp Pek Pua Pra Pred Prd Pad Eyed Pred Pua PT eh Prk ta Ar Ar Are Art Ar Ari An Ari ehrt Ar Aat Are LAs Ari Ari Ar Ard Arn Art Art Ari Ar Ari Ar Aard Ara Art Ara Ari Ara Ari irhat Are Are Ari Aai Arn Ari ha t Arhat Art Ar Ar A Ari har Ar hrt Are Ara Ari Ar iri Art Ari LANTE The DART Warm up Time min feature allows the user to set a fixed time interval for the DART to heat at the beginning of EVERY sample batch submitted to the LEAP Shell Sample Queue The default time is set to O minutes pasoa O E N Instrument selection Sciex Test Meth dam Default Show Params DART Warm up Time min Analyst v D ata cq Acquisition method Acquisition Time 20 1
23. strument selec 7 Analyst Status Configure Analyst Data4dcq Acquisition method Acquisition Time Unable to retiewet NEG Q1 Scan m_z 100 500 dam PAL in Ready state and Analyst in Standby Instruments Analyst Page 6 of 23 Configuring to an Analyst Project through LEAP Shell Left click again on the Analyst icon and select Configure Lote r Fi E J Ta SE bok o AA A t ie i il iam at n i A j r oP Fi ET i f _ a t j z LE Le File View Profile Tools Log Out Help Save gave As Test Method description Shell Methods lonSense Sampling Sampling Ho Pause Single tip Sampling Pause single tip Sampling Pause Pickup Tip Eject Tip lonSense Sampling 4pp 25 lonSense Sampling pp 26 Application lonSense Sampling 4pp 26 API Instrum lonSerge Sampling Ao 27 lons ense Sampling Analyst 2 4 r lonSense Sampling 4pp 27 NEG Pause lonSense Sampling 4pp 28 Instrument selection Instruments PAL Injecthethod Inject method Aun Time sH fis na pause sampling Rey 2 4 LPM Instrument selector Analyst Disconnect Status In the Analyst Configuration dialog box that appears configure to the Analyst Project that will contain the Analyst Acquisition Method you wish to use to collect the data Select the desired Analyst Project from the drop down menu and click Ok to save the
24. yst Sample Name 12 12 Tip 01 Analyst WWIFF File Name O12 Sample 12 C HEBFSOS 206 04 14 Analyst Sample Name 13 13 Tip 01 Analyst VIFF File Name 013 Sarnplel 13 C HBEBFSOS 206 04 Analyst Sample Name 14 14 Tip 01 Analyst VIFF File Name O14 Sampleli 14 CF HEBFSOS 206 04 Note The header for the Formula column can only contain the word formula as MSRedux XI will only recognize entries in a column labeled with the word formula Formula may be entered in the following formats Formula FORMULA or formula For example if the user labels the custom column Chemical Formula MSRedux XI will not process any of the formulas in that sample list Page 10 of 23 The Chemical Formula Feature of MSRedux X In order for MSRedux XI to process a chemical formula entered into the LEAP Shell sample list the value 1 must be entered into the Mass_of_Interest column for the each sample that contains chemical formula information The 1 tells MSRedux XI to look for a chemical formula and use it to calculate a mass In the case that both a chemical formula and a theoretical mass of interest are entered into the LEAP Shell sample list MSRedux XI will use the mass of interest to determine the presence of the analyte of interest and the chemical formula is extra information If you select 1 for a mass of interest MSRedux XI will look for a chemical formula in the wiff file and will calculate the mass of i
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