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LIMS for Lasers 2015

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1. om E 30 Project Information A Project is opened up by selecting and double clicking the highlighted project in the View Projects page The lower part of the Project pane displays a summary of mandatory and optional information about the project including e The Submission date when the samples arrived or were logged required e The Customer name required e Purpose a descriptive searchable field optional e Location a descriptive searchable field optional e Sample Range these W numbers are assigned by LIMS e Comment field for other relevant project information optional e Total number of samples and type and number of samples to be completed e The date when final results were reported to the Customer Projects List All Projects H 4 50 I Edit Delete Close Export Results Delta Plot Invoice Print Labels Print Report Find Project By Invoice No Print Small Labels Add Samples to Instrument Template Unpaid Invoices Show Samples Last Changed 11 20 2014 Delta Values Date Results Reported 2 1 2012 Submission 6 6 2006 E 67H and dlio Companion 6 0 and 6 6 2006 Reference 6 C To and l8o 5180 Project W 8389 to W 8427 Customer Reference I Range w 31 to W 69 Purpose IAEA Lab Standards amp Controls General Information Location Vienna Number of samples with missing delta values 22 of 39 samples Number of Missing 52H Samples 21 Number of Miss
2. Example older generation Los Gatos Research DLT 100 series water isotope instruments 3 Pick or enter L in the Code box 4 Enter a short descriptive name for the Los Gatos Research instrument 5 Onthe Sample Export Format pick list choose Los Gatos Research To remove a Los Gatos Research instrument click on Delete If isotopic analyses for the instrument have already been imported into L MS for Lasers 2015 the instrument cannot be deleted 20 5 2 Add Los Gatos Research IWA 35EP or TIWA 45EP Series Laser Instruments To view install or remove newer 2014 present Los Gatos Research IWA 35EP or TIWA 45 EP instruments s in LIMS for Lasers 2015 1 Start LIMS for Lasers 2015 2 Click Special Features 3 Click Instruments to view 4 Click Add Then edit as below Instruments General Information and Preferences Instrument ID Short Name TIW A 45EP Sample Export Format Los Gatos Research 2014 Check for missing analyses when opening LIMS la Number of injections of each sample to Ignore 1 to Information and Preferences Y 510 Capability Example Newer Los Gatos Research TIWA 45 EP water isotope instruments 5 Pick or enter L in the Code box note this letter can be changed on the instrument and should match the prefix on the instrument output file Enter a short descriptive name for the Los Gatos Research instrument On the Sample Export Format pick list choose
3. 388 zoo A wes Wier x 39m 358 368 Emm wem m0 3 35 100 0 88 3895 a MINUIT A R 2015 08 26 20 42 47 Record H 1lof15 E El D E Search Above we see no significant H2O amount dependency effects for 6H There are poor R squared value for all fit options such as quadratic logarithmic or power As a rule of thumb if the fit R squared value is lt 0 6 do not apply a correction This decision must be made by the analyst Note that outliers e g 1 injection badly affecting an otherwise excellent fit can be ignored here by checking the appropriate IG boxes in the lower panel In the case of 6 H above because all fits were poor we do not want any amount correction applied To reject all fits click Cancel Evaluation for 6H Next LIMS for Lasers 2015 will proceed to display the 6 O amount correction fit results and afterwards 67 0 if applicable 194 Adjustment for Variation in Delta Value with Variation in Relatrve Water Concentration This form enables users ta adjust delta values for Import Adjusted variation in relative H20 amount in case there is a um significant variation in delta value with instrument Delta Values relative H20 amount Select QurLablD and Ignore analyses of this QurLablD as desired Select regression type and trendline and A Cancel squared value will be shown DurLablD Regression Ww 398 a C Linear LQ f Quadratic
4. 9 Before clicking Continue use the scroll bar to quickly scan for outliers in Rel H20 Conc 2 38 is a reduced number to represent 2 38 x 10 H20 molecules as reported by the Los Gatos Research instrument and any value outliers Outliers may be ignored by clicking the Ignore box next to the item Checking IG Conc also checks the ignore boxes of of the corresponding 6 H 650 and 6 0 data If all of the data appears to be OK click on Continue 119 10 The between sample memory is quantified and averaged These should be less than 1 to 2 per cent Click OK to continue Between sample delta hydrogen 2 memory 0 34 This value is based on the following data Analyses OurLabID Memory 12434 12435 W 34 0 48 75 12442 12443 W 33 0 23 75 12450 12451 W 34 0 32 96 12460 12461 W 33 0 33 96 12468 12469 W 34 0 34 Between sample delta oxygen 18 memory 0 23 75 This value is based on the following data Analyses OurLabID Memory 12434 12435 W 34 0 28 96 12442 12443 W 33 0 00 75 12450 12451 W 34 0 34 12460 12461 W 33 0 06 e 12468 12469 W 34 0 00 76 Do you wish to continue 11 The sample drift and memory corrected Los Gatos Research data is now imported into LIMS for final processing u aa Y m Ro a a Importing Instrument Analyses from AANAPC HomeHAPC Homex WAS SENASA E HLXSDesktopkHID52018 HT IzoWw ater 20120719 070527 csv i Processed 36 spreadsheet rows Imported 108 rec
5. sample 150309 T1 01 1 1 gt T A sample 150309 T1 02 ra X eN ww a T Prep Inj Vial 1 Measured Inj Vial 24 ge Standards To Measure NM EE Name SN Tray Pos Comment y gt 1 2 rr EE y LIMS Import Load Cfg Start with Standards v Run after 1 7 samples Sd Save Cfg Standard Interleave Type One Standard per Sample Set z Put new vials in tray 1 2 3 4 Complete standard set at beginning and end Make Run Time Mon Mar 9 09 46 52 2015 Gas Temperature 46 43 C Laser At 6 33 us Data File tiwia2015 03 09 f0000 txt Gas Pressure 1 04 Torr Laser B x 5 96 us Disk Space 9896 7 Select and double click to open the LIMS sample list CSV file For L oxx csv that was copied over to the instrument 8 Torun the samples click on the display tab the loaded sample list should be visible Note Do not click on the Make Run after loading a LIMS file the sample list will disappear Go immediately to the Display tab O If the LIMS Import button is greyed out on the above screen you will need an instrument firmware update from Los Gatos Research see details in Chapter 5 2 113 AA COM IS SS HI SIS IS E MS O a o o e EN OD eee eae VEO O A ES O SA SS O O O A A A ee ea eae E ES ee eee aE PO O O eee E NE O O O O ee ee ee CEN m Cm S T EAN O NENNEN MEME TIL A aS O eee eee eee ae E a EU SS O O ee ee ee ee a ee ee See ee ee ee EEES aa ee O es ee LEN IEEE sample per
6. 1 24 H 32 Pre Sample Rinse fo 4 Sample Wash Vol uL 0 00 DO W NC Post Rinse 1 o Post Rinse 2 o H dex npn Ap Y Clear Y 1 24 m m 1 E Fill Speed Rinse 0 01 Fill Strokes a oe oe aaa 1 24 EE ap p H Sample Volume uL 1 60 Fill Speed uL sec Clear l Be m m 1 m Clear 10 jm m 1 m Clear l 0 1 Pre Inj Dly secs 0 00 Post Inj Dly secs 2 00 Clear l 1 m 1 m 1 Autosampler Connected ASReadInit successful Inject Speed uL sec 1 000 Post Fill Dly secs 1 00 Rinse Post Fill Dly Waste Eject uL sec 0 01 Rinse Vol uL Rinse only between Vials Injection Depth ASReadInit successful No Error ASReadInit successful No Error D caution Be aware sample analyses via the Picarro Coordinator data acquisition software are independent of LIMS for Lasers 2015 There is no coordinated connection between the instrument and the sample file Therefore ensure that the number and location of analyses on the Picarro Autosampler or CombiPAL match exactly what the LIMS Analysis Template expects Finally ensure a new Picarro Coordinator output file is created immediately before initiating the autorun to avoid importing data from previous autoruns or conditioning samples The second panel above right shows the Picarro 2130i default sample injection parameters Here a 1 6 uL injection achieves the instrumental target of a volume fraction of H20 of 20 000 ppm The Autosampler UI
7. Matimati T E Dawson Spectral analysis software improves confidence in plant and soil water stable isotope analyses performed by isotope ratio infrared spectroscopy IRIS Rapid Commun Mass Spectrom 2011 25 2268 178 LIMS for Lasers 2015 User Guide Change Notes Nov 12 2012 tov 1 1 e Added new section 15 3 on spectral contamination pre cautions and corresponding literature citations e Added the minimum O H per mil difference required for adjacent standard vials in order to correctly obtain between memory corrections in LIMS for Lasers in Chp 8 2 e Added LGR question on between sample memory to FAQ when using one reference vial per laboratory standard e Reorganized Chapter 15 Dec 13 2012 tov 1 2 e Added Chapter 16 on LIMS Data Viewer Jan 3 2013 tov 1 3 e Minor edits and precautions added to page 63 68 on the duplicating and editing of templates June 28 2013 to v 1 4 e Minor typos figure updates and addition of Appendix 1 guide to optimize templates for G2000 series liquid autosampler for Picarro 20xx series laser spectrographs September 23 2013 to v 1 5 e Minor typo updates e Added reset stored data to null values update to Section 12 6 e Added Appendix 2 September 10 2015 to v 2 0 e Completely revised for LIMS for Lasers 2015 179 Appendix 1 Picarro G2000 Autosampler Templates The introduction of the G2000 liquid autosampler on Picarro instruments in 2012 added software control and more f
8. ccccccssccccsssecccessececeeseceesesecesseecetsenecesseees 78 8 8 Add Samples to Picarro Analysis Queue cccccessseccceesececeeececeeesecesauecesseneceesenes 79 8 9 Add Samples to Los Gatos Research Analysis Queue eee 81 8 10 The Add Sample Options cccccescccccssscceceesececeesececeeseceseeeceseeeeceeseesecessunecessenes 82 8 11 Remove Samples from a Queue occconnccnncnncccncnnncnnnnnaconnonanonnnnnnonnnonanonnonannnnenaninnnnnnoss 84 8 12 Repeated Samples in LIMS for Lasers 2015 cccccccccssseccceeseccccesececcausecetauseceesuneees 87 8 13 Next Sample NUImbGeTt ista 87 9 Running Samples on a Picarro Laser ccoooocccnnnnonnnccnnncnnnnocnnnnonanonnnnononocnnnnonnnicnnnnnnnos 89 9 1 Create a Sample bist TOP PICIO ssl a dee usb dut desto Miei oru utt 90 9 2 Import Isotopic Data from a Picarro oocccnconccnnnonaccnnonanonnnonacnnnnononnnonanonnonanonnnnnnoss 97 10 Running Samples on a Los Gatos Research Laser esseee 103 10 1 Create a Sample List TOR LOS Cats itudin ovk vea tetas eo ovde epu o ver eov el am bras 104 10 2 Import Isotopic Data from Los Gatos Research cccccnccccnnccnnnncnnnnnncnonanononarononanoso 115 11 Data Import Options and Errors cccccococccnnnnononccnnnnnnnnccnnnnnnnnccnnnnnnnnonnnnnnnnaronnnnnnnaooss 121 11 1 Data Import Options Explained ie doceo rhe EONA 122 11 2 Data ImporbErrorivie5SdBpes esses R
9. on USBOO1 Selected Printer 151 LIMS for Lasers 2015 Example Report to the Customer Submission 2 2 2015 Purpose Location Bohicon Kandi Natitingou Kandi 201404 Kandi 201405 Kandi 201406 Kandi 201407 Kandi 201408 Kandi 201409 Kandi 201410 Bohicon 201403 Bohicon 201404 Bohicon 201405 Bohicon 201406 Bohicon 201407 Bohicon 201408 Bohicon 201409 Bohicon 201410 Bohicon 201411 Natitingou 201403 Natitingou 201404 Natitingou 201406 Natitingou 201406 Natitingou 201407 Natitingou 201408 Natitingou 201409 Terzer Stefan GNIP Benin 3231 Collection Date 415 2014 5 15 2014 amp 15 2014 7 15 2014 8115 2014 912014 10 15 2014 412014 dany 2014 112014 412014 7 15 2014 amp 15 2014 91123014 10 15 2014 11 15 2014 M15 2014 4 19 2014 S 19 2014 61152014 71152014 4152014 91153014 Our Lab ID W 12720 W 12721 W 12722 W 12723 W 12724 W 12725 W 12726 W 12727 W 12728 W 12729 W 12730 W 12731 W 12732 W 12733 W 12734 W 12735 W 12736 W 12737 W 12738 W 12739 W 12740 W 12741 W 12742 W 12720 to W 12742 Hysuow IN o B Oysuow in bo Value Value 1 6 20 0 3 7 8 1 24 9 37 0 23 6 2 3 amp 6 31 0 13 0 9 6 17 9 17 0 1 19 4 36 1 05 2 58 6 43 4 35 1 41 7 43 5 88 4 37 4 36 5 01 5 81 Mg 2015 Comment To export the Project results to an Excel file click on Export Results LIMS asks whe
10. 2 308 KB EP de t N ED E Lit E I a TER File name LIMS BACKEND DB for LGR 20121002 accdb Access File mdb accdb 12 Next a Welcome message appears Click OK a security warning pops up if Trusted Locations were not setup click Select 10 Welcome to LIMS Light for Lasers Currently U S paper 8 5 x11 is enabled for reports To change this option click Special Feature on the Main Menu and click Options 13 Areminder may appear indicating a laser instrument may need to be installed into your laboratory database Click OK Another reminder about setting up daily backups will appear Click OK again You need to install an instrument Please click the Special Features button on the Main Menu and click the Instruments button 14 LIMS for Lasers 2015 is now successfully installed This should be your screen upon start up 11 Organization Name UMS for Lasers 2015 Sample Information Analyses in Progress View Projects gt Create Sample List Import Data from for Instruments Instruments Sample and Analysis Survey of Find a Sample gt Apply Data Normalization Unreported Projects Search For Samples Evaluate Import a New Project Using Criteria Samples in Progress from Excel Submission MM Print Export Print Export Create a New Project Sample Range Samples in Progress Add Edit a Customer View Edit Information Store sa
11. C C Logarithmic C Power MC rdisiah in o Trendline a 5180 0 38745 x Rel Water Conc 2 2 710 x Rel Water Conc 10 46 4 3 R squared oss 4 Relative Water Concentration Right mouse button info available for Our Lab ID and instrument error me ip Amis ij Pos ton Am enor Dota Deta Time Analysis Pos Conc Error Delta Delta 4 1G Ignore multiple peaks Aa aaa wea wine s p iz imb am ec eed ao wes Wie t xm 45 wef 59 55 ra wsm m0 7 3m 9 00 59 38 ve wie s 3m ame 0 39 39 AAA ws wine s xz 329 wl 58 58 wae was s 38 485 fet 8 39 A wse wi e xm se 3 55 EA EA 3 9 aes eof 89 E AA wes wer x5 399 0 gt 89 58 Emme wse wimw 332 s 0 8 59 eae ee eae ee ee dee 2015 08 26 20 42 47 Record H 1lof15 k El D E Search For 6750 on the above example we see a very strong 6 value dependency on water amount in the laser cavity Again by selecting the appropriate control standard W 998 we can examine the options to obtain our best fit H20 concentration correction model e Linear regression r 0 92 e Quadratic regression r 0 96 best fit shown above e Logarithmic regression r 0 91 e Power regression r 0 91 Selecting the best fit a Quadratic regression the proposed equation is displayed in th
12. List Instrument Templates M 4 erso o SL salann fara yr enn cm LOW Lu Tt ow Retrieve La 4 In the Los Gatos Research queue above Smith s 10 samples W 1001 to W 1010 are queued to be run twice on a 30 sample template This leaves 10 extra positions which will be automatically filled with W 1 dummy repeats which can be deleted see below 5 Click on Create Sample List for Instrument a dialog box confirms the 10 times 2 repeats are in the queue Click OK 104 LOR 30 Right mouse button information available for all columns Vial Pos Prete Sample a E Save and Print Instrument Record H 1of61 Fl 6 The run sequence containing the wash samples local measurement standards control standards and Smith s samples opens right figure Note that samples on lines 1 21 onward are not needed since they are dummy placeholders These can be highlighted and deleted hit delete key 105 7 Click on Save and Print 8 A Windows dialog box opens asking where to save the Los Gatos Research sample sequence file This sample list file will be transferred to Los Gatos Research instrument and it should be saved to a USB flash drive Insert a USB flash drive into the PC 9 Click Select to save the file to the USB flash drive This CSV filename is a concatenation of instrument prefix For L Los Gatos Research and the current date This fil
13. Los Gatos Research 2014 Optionally if the instrument has 6 0 capability check that box Click Save then Click on List the new Los Gatos Research instrument should appear here d oa To remove a Los Gatos Research instrument click Delete Note if isotopic analyses for the instrument have already been imported into LIMS for Lasers 2015 the instrument cannot be deleted 21 Number of Injections For best results on Los Gatos Research instrument we recommend a total of 9 injections per sample and ignore the first 4 injections as set on the instrument configuration See discussion on templates for rationale for ignoring injections and other options Chapter 8 2 The number of ignored injections is instrument specific and must be less than the total number of sample injections as defined in the Analysis Template Instrument Prefix The instrument ID Prefix L is pre set on all new Los Gatos Research instruments For laboratories having two or more Los Gatos Research instruments the ID code must be unique for each instrument L Q S On older DLT 100 24D instruments deprecated LGR software changing the instrument prefix requires access to the LINUX shell on the Los Gatos Research instrument and a minor edit to an instrument INI file Contact Los Gatos Research for instructions on how to change the default instrument Prefix ID on these older instruments On new LIWA TIWA 35 45EP instru
14. OPI2 72012 12 31 OT 27 2012 12 31 OT 27 2012 12 31 06 13 2012 12 21 0671342012 12 21 1 4 a Local Drive Ti 2 USB Key intigrflssh3 L GR LIMS Sample Lists Date Modified For_L_0801_091420 csy 27755 File 03012012 09 14 32 2 J load sample list pna 56513 File 0801201 2 08 24 04 sktop png 41216 File 08 01 2012 09 24 07 2 0120730001 LIS 27460 File 0301201 2 09 24 53 2 Exit Example output file transfer from Los Gatos instrument DLT 100 116 Water Resources IAEA Programme Note The Replace Existing Analyses box overwrites any previous import of the data file provided that data was not normalized or stored This is useful to examine the impact of different import options or wish to correct a mistake The default setting is checked 6 If no import warnings appear see Chapter 11 the following screen appears summarizing the H20 injections note graph auto scales This preview is critical to ensure that water injections are consistent throughout the autorun LIMS for Lasers divides the measured Los Gatos Research concentration by 1 x 107 to determine the relative H5O concentration If the injections H20 appear to be normal within tolerance and stable click Continue 117 r x Relative Water Concentration Range M 8797 to M 8809 z Mean Relative Water Concentration 3 510 0 040 Print Of Regular Samples Excluding Reference Waters ug N bed o Re
15. 2 Kayenze E T 3127 07 27 2012 03 12 52 PM rw rw r W 1846 2 Makutano b hao 20120727 001 pe 3127 07 27 2012 01 10 29 PM rw rw r W 1847 2 Mara B b hao 20120727 000 ins 3129 OF 27 2012 12 31 06 PM rw rw r W 31 208 STDOB Cq b hao 20120611 O01 LIMS 276313 06 13 2012 12 21 18 AM rw rw r W 33 7 206 STDOS LA 2012 06 11 cs 40712 06 11 2012 04 51 38 PM rw rw r W 1848 2 Mara C LJ hao 20120611 O00 LIMS 0 06 11 2012 02 18 32 PM rw rw r W 1849 2 Mara river b hao 20120604 003 LIMS 56369 06 04 2012 11 17 20 PM rw rw r W 1850 2 Kwibuse b lar manual 2012 06 04 csv 901 06 04 2012 04 50 21 PM rw rw r W 1851 7 2 Mbatamo LJ hao 20120604 002 LIMS 115 06 04 2012 03 44 11 PM rw rw r W 1852 2 Utegi Bf File Name 201 2 07 30 csw open Open Insert B Populate Tray File Type csv files csv J Cancel Choose a Converted LIMS File To KA Down Hd Down or o E samples Sample Set 8 The LIMS generated sample list is then confirmed as loaded and the Sample List on the left hand pane should match your printed LIMS run list Run List Name lsn tray Eosten Sample List standara List Sample List Name fsan tray Position DESERT DIW Wash 3 ECKE DIW Wash x T W 3 1 1 208 DIW Wash 3 W 31 1208 My Lab Standard 13 10 W 3 2086 DIW Wash 3 28 W 32 1208
16. 3 O Print sample list and multi sheet template Creating a Los Gatos Research Sample Analysis Templates using Template Pages The run sequence of analysis for measurement standards control standards and the client samples can be set up by clicking the Edit Vial and Tray Positions button A Page template for 12 samples will appear Click Edit to complete completed example below reflects lines 1 12 in Table 1 69 Vial Pos 3 28 Run Order il Amit 11200 2 Sample Fixed Ref W 3 v Vial Pos 3 1 Run Order 4 Amt 1200 2 Sample 2 Fixed Ref W 32 hy Vial Pos 1 2 Run Order 7 Amt 11200 Sample 3 Fixed Ref tl Vial Pos 1 5 Run Order io Amt 1200 Sample Fixed Ref ty Vial Pos 3 28 Run Order la Amt 11200 2 Sample Fixed Ref W 3 y Vial Pos 3 2 Run Order 5 Amt 1200 J Sample Fixed Ref W 32 by Vial Pos 1 3 Run Order 5 Amt 1200 Sample 3 Fixed Ref hy Vial Pos 3 19 Run Order 111 Amt 11200 _ Sample 2 Fixed Ref W 33 hy Add Page Delete Page Vial Pos 3 10 Run Order Ia Amt 11200 J Sample Fixed Ref W 31 i vial Pos 1 1 Run Order 6 Amt 1200 Sample Fixed Ref Vi Vial Pos 1 4 Run Order o Amt 1200 Sample 3 Fixed Ref hy Vial Pos 3 3 Run Order 12 Amt 11200 _ Sample 2 Fixed Ref W 32 hy Vial Pos vial position of a sample in the tray of the liquid autosam
17. 34 Number of Missing 6180 Samples aa 3 Aconfirmation message will appear click OK Note a new W range is created for the 6 0 project Note It is recommended that a 6 0 Project if required be created at the same time as the 5H and 670 project In this way the Lab ID numbers are adjacent to each other for easier sample and project identification Delta oxygen 17 and delta oxygen 18 companion project 2015 03 04 Smith W 1011 to W 1020 has been created successfully 37 Submission 3 4 2015 Smith John W 1001 to W 1010 34 2015 Purpose Johns Test Waters for LAS Location El Paso aquifer O Hysuow in oo 3 O suow in bo Collection Sample ID Date Our Lab ID Value Comment Value Comment Sample W 1001 Sample W 1002 Samples W 1003 Sampled W 1004 Samples W 1005 Samples W 1006 Sample W 1007 Samples W 1008 Sample W 1009 Sampl 10 W 1010 Example 50 and 5H project printed from the LIMS Project Page no completed samples Submission 3 4 2015 Smith John W 1011 to W 1020 32015 Purpose Johns Test Waters for LAS Location El Paso aquifer 61750 ow in Value Oysuow in o Value Comment Comment Sample W 1012 Sample3 W 1013 Sampled W 1014 Samples W 1015 Sample W 1016 Sample W 1017 Samples W 1018 Sample W 1019 Sample 10 W 1020 Example 50 companion project from the LIMS Project Page no completed samples Keeping track of 90 Companion Projects is done from
18. 77 008889 2012 02 28 00 0 Tip for LIMS v 9 users L MS for Lasers 2015 does not require any media codes samples are automatically assigned to Media Code 1 water 6 H and 6 O and Media Code 1017 for 8 0 6 8 Print Sample and Vial Labels Printing Large Sample Bottle Labels LIMS for Lasers 2015 can print large adhesive labels Avery or equivalent that can be attached to incoming sample bottles This will allow laboratory staff to organize and locate client water sample bottles 1 2 3 4 In the Customer Project click Print Labels then click Yes The default number of labels printed is 1 select 2 or more in case of sample splits Ensure the printer has the correct size 30 or 21 large label laser printer sheets inserted respectively Avery 5260 Letter Size or Avery L7160 A4 Size or equivalent The label sheet size should match the paper size set in LIMS Options Letter or A4 Click Print Affix the printed LIMS large sample labels to the correct customer sample bottles Print Small Labels for Laser Sample Vials LIMS for Lasers 2015 can print small labels to be affixed to the 2 mL sample vials that are used on the laser instrument auto sampler 1 2 3 In the Project window click on Print Small Labels and click Yes The default number of labels per sample printed is 1 pick 2 for two vial assays Ensure the printer has 80 or 84 small labels per sheet respectively Avery 5267 for Lette
19. Next Sample to 70 and click Save Next import the 10 new measurement standards into a new project as described in Chapter 6 They will be given Our Lab ID numbers W 70 to W 79 Caution When completed go back to Next Sample Number option click Edit and change the number back to what was originally found here W 1011 This ensures you do not attempt to overlap with any pre existing W numbers 88 9 Run Samples on a Picarro Laser 9 1 Create a Sample List for a Picarro Instrument LIMS for Lasers 2015 creates Sample Lists otherwise called sequence files or run lists for Picarro instruments These sample lists are transferred via a USB flash drive or network to the Picarro laser instrument for analysis This action is performed from the Create Sample List for Instruments button on the Sample Information column of the LIMS Main Page Organization Name LIMS for Lasers 2015 Projects View Projects gt Survey of Unreported Projects Import a New Project from Excel Submission Create a New Project Add Edit a Customer Add Stored Samples Back to In Progress Track My Lab QA QC Water Resources IAEA Programme 90 By example we create a sample list of Smith samples for a Picarro instrument Dt Ensure Smith s samples were added to the Picarro queue see Chapter 8 8 On the Main LIMS Page click Create Sample List for Instruments Choose List Instrument Templates and click o
20. W 1842 12 Nyashishi River W 3 208 DIW Wash 3 1843 2 Mganza Sec Scho 1 Wes ff 2060 DIY Wash 3 W 1844 2 Mkuyuni River 1 Un Wes I 20E DIW Wash 3 W 1845 f2 Kayenze Sell 1 xem als W 184B 12 Makutano BrHole 1 Down Je leds per stu E i B W 184y f2 Mara B River 1 W 31l 208 STDOG Control 3 Was 208 STDOS 3 W 1848 f2 Mara C River 1 41049 f2 Mara river Wetlar 1 W 1850 f2 hwibuse Sell 1 W 1851 2 Mbatamo Spring 1 W 1852 62 Utegi B Hole 1 Insert Delete Select All TrayD1 ray aveCfy ith E un after ISTE ES tray Trays Save Cf Start with Samples f Run after 0 lt samples mi Tray Q2 TrayO4 Load Cfg Standard Interleave Type One Standard per Sample Set Standard Setup LIMS Import Standards To Fun Mull 1207 27 T2 01 02 EE eef e 7 Select and double click to open the LIMS sample list CSV file For L xxxx csv that was copied over to the instrument 109 Sample List Standard List Run List Sample List Name Ei fre Position V EXEETT Diw Wash 3 28 DR eds DIVI Washi W 36 208 STD11 W 33 7 208 STDOS W 33 208 STDOS W 36 208 STD11 W 36 208 STD11 cav 27755 08 01 2012 09 23 43 AM rw rw r W 1842 2 Nyashishi IN 274607 07 31 2012 10 28 27 PM rw rw r W 1843 2 Nganza Se i 38848 07 30 2012 03 34 51 PM rw rw r W 1844 2 Mkuyuni ES DOQU Lens 1725 07 30 2012 12 25 11 PM rw rw r W 1845
21. When the L MS for Lasers 2015 backend database resides on a network drive slow network hardware can cause delayed performance response One solution is to locate the backend database on a fast network drive preferably Gigabit speed or better hardware Another reason is concurrent users of LIMS for Lasers 2015 Relational databases like MS Access lock fields that are opened by another concurrent user and cannot be accessed until the user has completed the edits Another common slowdown occurs when a concurrent user has inadvertently left open a search or edit screen e g locked tables To avoid this be sure to always to close L MS for Lasers 2015 when you are finished using it Q Why do you recommend measuring every sample twice This seems unnecessary A The default approach of running each sample twice is a conservative approach that will allow you to assess the reproducibility of every single unknown measured not only the control and measurement standards Alternately users may choose to repeat none 1 in 10 or 1 in 5 samples or add more controls This is a local performance and evaluation assessment decision and is easily over ridden as described in the Analysis Templates section 170 Q Why are 9 injections recommended Our laser instrument manual recommends 6 injections ignore 3 A As noted in Chapter 8 9 injections per sample is a very conservative recommendation to ensure the best results are obtained from all generations of
22. and they require multiple vials with 30 50 or more injections Why You Require Systematic Analysis Templates There are two hardware features that constrain the length of a laser analysis template e Sample injection port septum failure Injection septa can leak or fail after 300 to 800 injections depending on the brand and the quality standard vs high performance e Syringe failure Microliter syringes can fail after as few as a dozen injections to over 2000 injections Generally the higher the dissolved solids TDS content of the samples the sooner the syringe will fail from salt precipitation jamming of the syringe barrel As a result it is recommended that laser autoruns total no more than 300 800 injections after which the septum must be changed The syringe should be monitored for signs of failure Syringe degradation is manifested by decreased or variable H O yield on most laser instruments in comparison with new syringe performance 59 There are three instrumental constraints that impact the quality of laser sample analysis templates e Between sample carryover or memory this is residual contamination from prior Sample water molecules in the laser cavity and or transfer lines between adjacent samples e Dependency of 6 values on H20 amount injected Variable H20 amounts for example from underperforming syringes or leaky septa will lead to high isotopic variance on most laser instruments e Instrumental drif
23. as 0507 Cen s ws ro 205 as T ows L3 r wss 3e 20 T 94 Cea __ Means 2042002 W 4365038 M oasss0023 a ip ws aie 20s RW 3s MW 2 3m 2 ws 31e 2 WM 359 0 595 Cea s wee 3e 20 A 39 A asa a a wee am 29 RW 3925 0 ass Csa s ws 3e 29 I 3 T sm Cea s ws 3e 20 I 399 T 555 a 7 p ws 1o zos 1 9628 T 2559 ss a waa ros 208 mM as mW 2560 L9 2 wee 3e 29 mM s 0 555 Le s wae ae 29 P 69 T 2599 ses a ws 3e 29 P 39 0 595 a s ws 3e 29 I 359 T 25660 as s p ws ae 20s T 3 998 T 2582 a 7 p ws aes zos TT ass T 25899 es _ Means 2055091 15708s01 T 255670025 a w ro 209 mM 75 9 W 3 35 sa o wass ros 209 RW sare 9505 3 s wass ros 206 WM ose P 94 sw s wass xo 205 MW ese 7 94 pwasss roa 205 T a T 340 Ls Ds pwisus e 29r T es 1 e ri W 15815 1 0 61 94 E 9 374 NN 5 H and 5180 Ref for Additive Iw36 Normalization Reference for w34 Scale Expansion Y A a 1 11 11 11 1 TI lt l 1 41 41 gy gy 1 y p d d a p l lt 1 7 The between sample memory calculations are now quantified and averaged for the entire autorun These should be less than 1 to 2 per cent Click OK to continue F LIMS 9 o Between sample delta
24. 2 2 3 3 Setting 4 Sample Queue 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 Using both options setting the Consecutive and the Non Consecutive Analysis options to 2 results in Sample Queue 1 1 2 2 3 3 1 1 2 2 3 3 83 Add Samples To Be Analyzed 8 24 2015 Smith 10 samples Add Samples to Selected Template Samples can be added to the Table of Samples to be Analyzed Select the Template and select Add At the Front of the queue or the End of the queue General Information Template Los Gatos 20 Sample Los Gatos 20 Sample From 1000 To 11010 Number of non consecutive sample repeats i2 For example for an entry of 2 for 3 samples named No W 7 W 8 and W 9 one would have W 7 W 8 and W 9 on one template AND W 7 W 8 and W 9 on the next template Number of consecutive sample repeats a S For example for an entry of 2 for 3 samples named W 7 W 8 and W 9 one would have samples W 7 W 7 W 8 W 8 W 9 and W 9 all on one template Add At 3 Front of the queue End of the queue default position Add At Default setting end of queue The option to add samples to the front of a queue allows fast tracking of high priority samples ahead of those already in the queue For example if one is partly through a queue and 5 urgent samples arrived we could add the 5 samples from that urgent project to the Front of the Queue If there are no unmeasured samples in the analysis q
25. 36 W 3 3 37 1 00000 M 12470 7 2015 08 26 23 30 22 W 3 3 37 1 00000 M 12470 7 2015 08 26 23 30 22 W 3 3 37 1 00000 M 12470 8 2015 08 26 23 32 08 W 3 3 37 1 00000 M 12470 8 2015 08 26 23 32 08 W 3 3 37 1 00000 M 12470 9 2015 08 26 23 33 53 W 3 3 37 1 00000 M 12470 g 2015 08 26 23 33 53 W 3 3 37 1 00000 M 12470 71 2015 08 26 23 21 20 W 96 3 37 1 00000 0 00 M 12470 72 2015 08 26 23 22 34 W 96 3 37 1 00000 0 00 M 12470 73 2015 08 26 23 23 50 W 96 3 37 1 00000 0 00 M 12470 74 2015 08 26 23 25 04 W 96 3 37 1 00000 0 00 M 12470 75 2015 08 26 23 26 50 W 96 3 37 1 00000 0 00 M 12470 76 2015 08 26 23 28 36 W 96 23 37 1 00000 0 00 M 12470 TF 2015 08 26 23 30 22 W 96 3 37 1 00000 0 00 12470 78 mde din 23 32 08 W 96 3 37 tete td a 12 2 Normalize Data Without Bracketed Normalization If you imported your laser isotopic data using the optional Standard Import or Standard Import with Choice of Corrections the data is treated as a single batch and more normalization options like linear drift correction can be applied after following Steps 1 3 in Chapter 12 1 131 1 Click Normalize with All References The calculated R value should be gt 0 9 If significantly than lt 0 9 it suggests unexpected isotopic variability in the standards Check for outliers 2 Click on Apply Normalization The pro
26. 9 wees 328 426 T 1678 T 533 12456 Means 427s002 PE 164850 47 T 5 952006 7 32455 1 wows 329 JMJ 32457 2 wees 329 JMJ i245 3 wees 329 TM uas se wes ses JP Lxusp s wees zs ass I 3e5 T se Lxusp s woes s28 ass I 362 T 39 Lame 7 wess zs ase T 355 T 59 Lia s wess sus Lxusp s woes 335 ues i ames i ws 458 3 i ae a ve E T as T 5935 62H and 8180 3588 596 he Ref for Additive Reference for e M k mj M Scale Expansion dh 1 1 Tal al 4 lt l dmg gy dy dy dg al 1 1 W 34 MEN Means 484 00 W 33 B3 0 03 was s wes 325 wes sz wes sss wes 35 377 zasa s wess zs ava I mes T sos zase 7 wess amp zs 372 I 362 T ss Cams s wess 3zs 374 T eis T ss Cass __ Means 3742002 622 014 T 3952007 4f rj 12459 1 W 34 3 10 Iv M F 233323 3x 3 Despite the wide range of injection volumes used resulting in 3 7 4 8 range in relative water concentrations the newly H20 normalized raw results for W 998 returned the same 6 value of 5 95 o whereas values left uncorrected for H20 amount differed unacceptably by more than 0 5 96o Click Continue From here on all of the standard L MS for La
27. Chapter 7 3 Create new analysis templates for samples based on your new local laboratory measurement standards Chapter 8 164 ult tle tu DT Jc AT JEJECTO OTE OF DACRE Proposed laboratory measurement standards to be analysed against VIMOW2 W 8 and SLAP2 W 9 using a Los Gatos Research instrument The measurement sequence on the right matches the Analysis Template in Table 3 W 3 is a wash or conditioning sample 165 For Picarro Instruments 1 On the LIMS Main Page click View Projects 2 Open the Project called Lab References 3 Click on Template List Add or Remove Samples Es Add Samples To Be Analyzed 2006 06 06 Reference Samples can be added to the T able of Samples to be Analyzed Select the Template and select Add At the Front of the queue ar the End of the queue General Information Template Lab Std Cal SMO W SLAP2 Calibrate Lab Stds Using SMO W2 SLAP From Ta i N Number of non consecutive sample repeats For example for an entry of 2 for 3 samples named V 7 AAA and ww 3 one would have WW WEL and V 3 on one template AND w 7 48 and 9 on the nest template Number of consecutive sample repeats For example for an entry of 2 for 3 samples named 7 w B and 4 9 one would have samples Wi WP WEL WEL w 8 and w 3 all on one template Add At C3 Front of the queue End of the queue default position 4 We will calibrate lab
28. IAEA Programme 133 Evaluate Analyses in Progress Our Lab ID Range Sample Information Prefix Our Lab ID CI C gt Carbonate CIG gt General Submitter C3 J gt Julian ON Nitrogen C R gt Reference cxi Subm Date C 8 gt Sulfur TNI W gt Water Sample ID From 1001 Ix1010 Right mouse button info available for Instr Error Vial Penult Hourly Expans Add Final Date Analysis Position Con 62H Corr Coef Corr 62H 2 Choose one isotope delta such as 6H that you want to evaluate from the pull down menu located in the upper left remember to repeat this procedure for 6 0 3 The available Prefix in LIMS for Lasers 2015 is W for water the other prefixes are not enabled 4 Enter the W range of the normalized samples or control standards you want to evaluate In the example W 1802 to W 1821 corresponded to the last data run 5 Then click on Query 6 A new window opens showing a summary of all of the results for each sample in the W range queried 134 cS Evaluate Analyses in gt gre i List 14 4 bl Query Retrieve Delete Prmt W 1802 w 1803 Our Lab ID Range Sample Information 2 Results W 1804 _ Prefix _ Our Lab ID w 1 804 Mean Final Delta 2 4 o relative to VSMOW C C gt Carbonate Mean 1 24 Std Dev 1 67 O G gt General Submitter Leonard Wassenaar N OJ gt Julian Subm Date 2012 07 73 Mean 2 St
29. LIMS Data Viewer Main Page In order to use the utility the Projects Find a Sample Search Printing and Special Features are fully described in Chapters of the L MS for Lasers user manual with the restriction that no fields may be edited or modified Not all menus will be visible and some are inaccessible in the L MS Data Viewer View Projects To view print or export data Review appropriate sections of Chapter 13 Find a Sample Review appropriate sections of Chapter 12 8 Search for Samples Using Criteria Review Chapter 12 8 Print Sample Range Review Chapter 12 8 Special Features Set printer defaults and change the location of the backend database Review Chapter 4 176 REFERENCES CITED 1 2 3 4 5 6 7 8 9 10 11 12 L I Wassenaar T B Coplen P K Aggarwal Approaches for achieving long term accuracy and precision of 90 and 6H for waters analyzed using laser absorption spectrometers Environental Science and Technology 2014 48 1123 T B Coplen L Wassenaar H Qi Laser absorption spectrometry for 60 and 6 H measurements in environmental studies Part Experiences and comparisons with dual inlet isotope ratio mass spectrometry extended abstract Laser Specs for Field Hydrology and Biogeochemistry Lessons Learned and Future Prospects 2014 A Virtual Workshop exploring the potential and pitfalls of a revolutionary technology Organized by CUA
30. Mean Mean 1 SD Mean 1 SD Example of amount control standards and variable volume samples on a Los Gatos Research Analyser 191 Relative Water Concentration Conti Range K 454 to K 470 A Lontinue Mean Relative Water Concentration 2 037 0 014 Print Of Regular Samples Excluding Reference Waters cc 9 T rm Ec a e o O k T c E o D 50 Cumulative Injection Number References Regular Samples Mean Mean 1 SD Mean 1 5D Example showing amount controls placed at the beginning of a Picarro autorun ranging from a volume fraction of H O between approximately 12 000 to 22 000 ppm Click Continue In the next import screen options are displayed for import types for all measured isotope deltas 6 H 6 0 5 0 If 6 0 was measured it will be displayed on the right hand panel The routine import options are previously described in Chapter 11 To enable adjustments for H20 concentration OFF by default check the box Correct for Change in 6 with Rel H20 Conc for each isotope delta 192 Import Criteria for Instrument M LGR v4 ALos Gatos R hi rt has been identified Isotopic dat bei rted usi ither os Research impo 5 been identifi opic data can be impo using either a 1 An Import With Normalization Over Sub ranges of Analyses sometimes called Bracketed Normalization LIMS will first perform an additive es normalization on sub ranges of an
31. Pr List All Projects IA 4 EE IH Name After date Before date Delta Values 995 Reference W 4 1 1 1995 Reference W 8735 5 6 2006 Reference W 8388 1 30 2012 Wassenaar W 103 Show Samples Export Results Print Report Add Samples to IAstrument Template General Information Delta Values Submission 6 6 2006 52H and 5 80 C io angal8o Reference Customer Reference di 1 Range W 31 to W 69 Purpose IAEA Lab Standards amp Controls Reference Reference Project References with Laboratory IDs W 31 through W 69 for IAEA lab standards 51 Samples List All Samples 31 Pl Reference 6 6 2006 Edit Analyses Print Project Close Our Lab ID W 31 Sample ID w 31 Control Aquifer nfo j Delta Value 6140 a a Temperature EE pH nn 2x Alkalinity 0 Comment Other Info HL Lab Std 6 Delta Value 8 640 ho Decimal Degrees Lat Long Accuracy Meters Collection Date Elevation End Collection Date Top Country AT gt Austria Bottom HEN State Province 009 Wien Vienna Entry information for sample W 31 to be edited to My Laboratory Standard 1 Note To create a Project for 61O values for laboratory measurement standards you must first create a companion lab standard Project see Chapter 6 4 The W numbers of the 6 O lab standard Project wil
32. a Edit Vial amp Tray Positions Duplicat Export Vial amp Tray Positions Import Vial amp Tray Positions The graphical template page shown on the previous page is shown below in Excel The spreadsheet headers must be exactly as shown for importing purposes Al fe UMS List No B C D E zs List a Tray Position Ref OurLabID Page Page Position 2 1 1 01 W 31 1 1 3 2 1 02 W 32 1 2 4 3 1 03 W 32 1 3 2 4 1 04 1 4 6 2 1 05 1 3 7 5 1 06 1 5 8 J 1 07 1 7 9 8 1 08 1 8 LO 9 1 09 1 9 L1 10 1 10 1 10 12 11 1 11 1 11 L3 12 1 12 1 12 L4 Export Vial and Tray Positions export the selected analysis template to an Excel file 75 Import Vial and Tray Positions imports the Excel analysis template into LIMS for Lasers 2015 The template will be visible and can be edited using the normal Page editing mode shown above To import a template from Excel click Import Vial and Tray Positions Select the Excel File template Click Yes if mistakes were made a descriptive error is given If a previous template has been made confirm it will be overwritten A Design Templates List Instrument Templates I4 4 Picarro depleted Create a New Template Edit Vial amp Tray Positions Duplicate this Template Export Vial amp Tray Positions Import Vial amp Tray Positions General Information mm A Name Picarro depleted po 3 Description Picarro 20 Sample Instrument p gt Picarro 11021 m Sample Inf
33. absorption spectroscopy measurements for 57H and 8 0 isotopic analysis Hydrology and Earth System Sciences 2010 14 1551 M Gr ning Improved water 6 H and 8 0 calibration and calculation of measurement uncertainty using a simple software tool Rapid Commun Mass Spectrom 2011 25 2711 D Penna B Stenni M Sanda S Wrede T A Bogaard M Michelini B M C Fischer A Gobbi N Mantese G Zuecco M Borga M Bonazza M Sobotkov B Cejkov L I Wassenaar Technical Note Evaluation of between sample memory effects in the analysis of 8H and 650 of water samples measured by laser spectroscopes Hydrology and Earth System Sciences 2012 16 3925 W A Brand H Geilmann E R Crosson C W Rella Cavity ring down spectroscopy versus high temperature conversion isotope ratio mass spectrometry a case study on 177 13 14 15 5 H and 6 Oof pure water samples and alcohol water mixtures Rapid Communications in Mass Spectrometry 2009 23 1879 M J Hendry B Richman L Wassenaar Correcting for methane interferences on 6 H and 6750 measurements in pore water using H2Oliiquia H2Ovapor equilibration laser spectroscopy Anal Chem 2011 83 5789 M Schmidt K Maseyk C Lett P Biron P Richard T Bariac U Seibt Reducing and correcting for contamination of ecosystem water stable isotopes measured by isotope ratio infrared spectroscopy Rapid Commun Mass Spectrom 2012 26 141 A G West G R Goldsmith
34. laser instruments The newest laser instruments may indeed require fewer injections and or ignored results Whether the outcomes differ significantly can be tested by comparing default LIMS for Lasers 2015 recommendations with those of the same run but using fewer injections and fewer ignored injections Using fewer injections you may find precisions are worse and between sample memory percentage higher Ultimately each lab must decide what will be their acceptable performance standards Q decided to conserve laboratory standard consumption by using only 1 vial instead of the recommended 3 vials per standard on the default LGR instrument template Now LIMS for Lasers 2015 does not calculate the between sample memory effect What happened A This is normal LGR and Picarro instruments assume consecutive samples having the same vial position the same analysis number You must therefore alternate vial positions for two or more consecutively measured identical lab standards in order for them to be treated as different samples Otherwise between sample memory cannot be determined in LIMS for Lasers 2015 Q am stuck Who can I contact for help with LIMS for Lasers 2015 A If you have carefully followed the procedures outlined in this manual and are still having trouble please contact the authors TBC or LIW by email tbcoplen usgs gov or wassenaar iaea org We may request that you ZIP and email your backend database in confidence so
35. laser instruments These templates were designed to obtain high quality results check for problematic analyses based on the sample water yield correct for 6 dependency on H20 concentrations correct between sample memory check and correct for instrumental drift and normalize the results of the unknown samples to the VSMOW SLAP scale using calibrated laboratory standards A Control standard is used to monitor results and to report long term laser performance for QA QC purposes Users can create their own operationally appropriate templates Systematic analysis templates founded upon Identical Treatment principles VI are well known to give the best results Further systematic templates make it easier for the analyst to identify problems when changes in analysis patterns are observed In LIMS for Lasers 2015 we recommend a 9 injection ignore 4 template as a starting point for all laser instruments for 6 O and 6 H Users can experiment with templates to optimize performance for their own needs and instruments or to improve sample throughput by experimenting with fewer injections and ignored injections e g 6 injections ignore 3 Analysis templates remain customizable to user preferences The recommendations in this manual are conservative in order to provide the best possible 50 and H results from all generations of laser instruments Instrument templates for 90 are considerably more complex than routine 50 and 6 H analyses
36. least squares regression of analysis time versus one or more measurement standards that occur throughout the autorun The drift correction reported in o per hour is determined and applied to all samples However laser instrumental drift is not often linear over long autoruns gt 2 3 hours and instrumental drift may be inconsistent among laboratory standards within an autorun one 61 standard drifts positively the other negatively Therefore this regression often gives poor statistical confidence e g low R values Regardless LIMS for Lasers 2015 gives users the option to check for singular linear instrumental drift using one or more laboratory standards One measure of confidence of whether to apply a linear drift correction is when drift is strongly linear e g R gt 0 6 and occurring in the same direction e g all drift positively for two or more measurement standards Only then can a linear drift correction be applied with any confidence While instrument drift correction is optional the use of bracketed data normalization default setting is generally found to give better results 8 3 Systematic Analysis Templates The following sections show example analysis templates for Los Gatos Research and Picarro instruments used in LIMS for Lasers 2015 These templates were designed to be robust and were tested to produce the best possible results for all generations of laser instruments Further they were optimized to obtai
37. o Note that the international measurement standards are located in the Project International References and the Customer name is Reference There are 25 placeholders for current and future international measurement standards W 5 to W 30 Note 6 0 values are currently not pre assigned to any standards because this is an outstanding scientific issue Adding 6 O will require the user to create a Companion Project for their Primary Standards Project see Chapter 6 4 49 Open Selected Project Remove a project from the window below by pressing th 21 21 21 21 ubmission LastName Range Purpose 995 01 01 Test W 1 to W 2 Watertestsamples 2 995 01 01 Reference W 3 Empty capsule for TC EA 995 01 01 Reference W 4 CF Ref Inj sample U06 06 06 Reference W 5toW 30 International references a 06 06 06 Reference W 31 lo W 69 Labreferences 2 2 012 07 05 Smith W 1001 to W 1010 Water Resource Project Houston 012 07 05 Smith W 1011ltoW 1199 7 2 Add and Edit Standards and Controls Daily use laboratory standards or in house standards are used to normalize measured values of samples to the VSMOW SLAP scales for final reporting The onus is on the laboratory to obtain appropriate measurement standards and to ensure they are carefully calibrated against the VSMOW SLAP int
38. standard vials according to the printed list 106 LGR 30 Samples To Be Analyzed Vial Pos Our Lab ID Sample ID 3 28 3 28 3 10 3 1 32 1 1 1 2 1 3 1 4 1 3 3 19 3 3 11 3 12 1 6 1 7 1 8 1 9 3 10 ll 3 12 1 16 1 17 1 18 1 19 1 20 3 19 3 10 W 3 W 3 W 31 W 32 W 32 W 1001 W 1002 W 1003 W 1004 W 10053 W 33 W 32 W 31 W 31 W 1006 W 1007 W 1008 W 1009 W 1010 W 33 W 31 W 32 W 32 W 1001 W 1002 W 1003 W 1004 W 1005 W 33 W 32 W 31 W 31 W 1006 W 1007 W 1008 W 1009 W 1010 W 33 W 31 iit ul Hi pi bin jit HET DIW Wash DPW Wash High Standard Low Standard Low Standard T id Project Refer 2012092 Refer 2012097 Smith 20150304 LGR run list for the laser analyser Notes 310 2015 97 00 31 PM Vial Pos Our Lab ID Sample ID Project 3 1 W 32 W 32 Low Standard Refer 2012097 Lew Standard Refem 2012092 Notes 14 On the Los Gatos Research autosampler the laboratory standard and sample vials are set up using the analysis layout s shown in Table 1 Compare the printed LIMS run list to ensure that all vials are located in the correct tray position 107 Running the Sample List on the Los Gatos Research DLT 100 24D Series Instrument 2007 2013 The LIMS generated sample list saved to the flash drive is loaded directly into the Los Gatos Research DLT 100 instrument 2007 2013 and it links sample data
39. template page shown on the previous page is shown below using Excel The spreadsheet headers must be exactly as shown for importing purposes A B C D E F G LIMS List No Tray Position Ref OurLablD Page Page Position Amount 1 3 28 W 3 1 1 1200 2 3 28 W 3 1 2 1200 l 3 3 10 W 31 1 3 1200 i 4 3 1 W 32 1 4 1200 i 532 W 32 1 2 1200 6 1 1 1 G 1200 7 1 2 1 7 12001 8 1 3 1 8 1200 D 91 4 1 9 1200 1 10 1 5 1 10 1200 2 11 3 19 W 33 1 11 1200 3 1 3 3 W 32 1 12 1200 4 Import Template from Excel 1 To import a template from Excel click Import Vial and Tray Positions button 2 Select the Excel File template 71 3 Click Yes if mistakes were made a descriptive error will be given 4 Ifa previous template has already been made confirm that it will be overwritten Dess Templates General Information Name LG R 30 Instrument L LGR Sample Information Sample for Unfilled P ere 1 Templates rument Templates I4 4 LGR 30 Hi Create a New Template Delete 3l amp Tray Positions Export Vial amp Tray Positions Import Vial amp Tray Positions aral Information Last Edit 2015 034 Name LER 30 LIMS ription L ument L gt LGR ple Information le list 3 Print sample list and multi sheet t Sample for Unfilled P Number of injections EN Tip One useful feature of the Design Template page is the Duplicate button For example suppose you want
40. that we can troubleshoot the issue 171 16 LIMS Data Viewer Utility Projects amp Samples View Projecte gt Find a Sample gt Search For Samples Fl Water Using Criteria ue Resources Print Sample Range IAEA Programme Special Features 172 16 1 LIMS Data Viewer The LIMS Data Viewer v 11 02 or later is an optional utility that can be used in trusted teams departmental settings or laboratory group settings This utility allows network connected laboratory clients e g co workers Pls colleagues managers to access the laboratory backend database LIMS for Lasers v 10 or LIMS for Light Isotopes v 9 from their own desktops but without any capacity to edit or alter information in the LIMS database This simplified read only viewing utility is for convenience and it may be used by trusted laboratory clients to e View and extract current laboratory workload and client projects e View their projects and analysis status e Download or export project data to Excel or print a report e Reduce their need for emailing or phoning the laboratory concerning sample or project Status Note The utility is for use in trusted settings because the Viewer gives client access to all of the Projects in the LIMS database Full viewing access may not be appropriate in all settings or where projects are deemed confidential 16 2 Computer and Software Requirements Required e Computer running Windows XP or la
41. the assessment of isotopic homogeneity of the prepared ampoules of VSMOW and SLAP2 Table 1 5 H and 550 reference values for the two international measurement standards VSMOW and SLAP and their associated combined standard uncertainties In order to calibrate and normalize any measurement to the VSMOW SLAP scale especially for the calibration of intemal laboratory water EEE E ee E ERTE 1978 In that formula the measured values for the new international mea standards VSMOW and SLAP have to be entered instead of those of VSMOW and SLAP a aida sLar value for SLAP from Table 1 S Fame Evsuow 1 stam Eram Fs Eso By using this procedure all data are still reported n of VSMOW and SLAP for their calibration Of course the standard nu les of VSMOW and icertai y component im any combined uncertainty It is recommended to clearly state m any publication that the calibration was performed usi VSMOW and SLAP2 158 14 2 Source of Daily Use Measurement Standards U S Geological Survey Users may purchase cases of 144 glass ampoules each containing 5 mL of calibrated secondary daily use measurement standards The recommendation is that ampoules with two substantially different 6 values be opened daily and used for data normalization and a third intermediate delta value water can be used as a control Unused water from the ampoule should be discarded Use of these working r
42. the entire autorun by using groupings of measurement standards distributed across the autorun low to high high to low etc As noted above we recommend initially using 9 sample injections and ignoring the first 4 to minimize the between sample memory Between sample memory is calculated by comparing the means of the non ignored values of the first standard high delta to the mean values of two sequential occurrences of a second low delta standard or vice versa high to low low to high For an autorun containing distributed groups of a high low standard followed by two identical low high standards e g HighStd LowStd1 LowStd2 the between sample memory is determined using the mean of all non ignored measurement standards as follows Between sample memory 96 avg LowStd1 avg Low Std2 avg HighStd avg Low Std2 H Memory Example 0 68 96 401 57 o 404 03 o 41 89 o 404 03 o The between sample memory correction is averaged using all appropriate reference groupings in the autorun and then applied to all samples and measurement standards 123 Adjusted Sample H 1 0068 Sample Mean Prior Sample Mean Prior Sample Mean Final Corrected 6 Result Mean Sample Value Mean Adjusted Value Mean Sample Value LIMS mm o Between sample 2H memory 0 65 percent This value is based on the following data Analyses OurLabID Port Memory 1022 1023 W 34 1 0
43. the main page of each Project For example for the previously created project the Project panel displays the ID range of the companion project The 6 0 values are automatically updated from the 6 H and 6 O project 38 ist a projects 1 JEEMEN create Companion 6170 amp 6180 Project Lab references for 170 39 6 5 Import a New Project using Excel A convenient way to create a new Project is to import an Excel submission file containing information provided by the Customer Having your customers complete and provide all of the sample names and details and submitting an Excel file by email or CD along with the samples saves time and eliminates laboratory transcription errors User editable sample submission templates are available from the IAEA and USGS Web sites Chapter 3 1 The latest IAEA Excel water sample submission file is shown here Errat Page Layout Farmulad Cut i A Calibri Ho oA A r F N la Cops gt E g H df Format Punter Clip beard P Font Humber y bye s Cells B5 i Paste inseri Delete Format 4 B c D E F G IAEA Sample Worksheet Water Isotopes by Laser Spectroscop Customer Information Last Marne My Lastname Fina toe Ship samples with Excel file to First Name My Firstrame IAEA Iscitope Hydrology Laboratory LIMS for Lasers Initial P O Box 100 Room G 162 F Wa ter version 10 35 July 28 2012 Vienna International Center n Used with permission 1400 Vie
44. values of a control standard can arise from factors like improper storage of the Control water sample e g inadvertent evaporation or by human error in the laboratory e g mixed up vials 1 On the LIMS main page click on Track My Lab QA QC Organization Name LIMS for Lasers 2015 Projects Sample Information Analyses in Progress View Projects gt Create Sample List Import Data From for Instruments Instruments Sample and Analysis Survey of Find a Sample gt Apply Data Normalization Unreported Projects zem Search For Samples Using Evaluate Import a New Project Criteria Samples in Progress From Excel Submission Print Export Print Export Create a New Project Sample Range Samples in Progress Add Edit a Customer View Edit Information Store Sample Results about Sample Analyses to Projects Track My Lab QA QC Add Stored Samples Back tom Progress Water V Resources IAEA Programme 142 2 Enter the Our Lab ID number of the Control standard W 31 in example below Click any field to accept all of analyses or define a range of analysis dates 4 Optionally select a specific instrument if the control standard is measured on several instruments e g multiple lasers 5 Click Create Graph LIMS for Lasers 2015 displays a graphical summary and statistics for the laboratory Control standard for the selected search criteria 6 Examine the graph or export these data to isolate out
45. y PESO pee SU Unpaid Invoices Last Changed 8 24 2015 General Information Date Results Reported Submission 8 24 2015 Customer Smith John le Range w 1000 to W 1010 Purpose Water Resources Project O Number of samples with missing delta values 11 of 11 samples Number of Missing 67H Samples 11 Number of Missing 6180 Samples Ea 1 From the Template pull down choose Los Gatos Research 30 Samples and then click on the Add Samples to Selected Template button on the top right 2 The samples are now added to the 30 sample Los Gatos Research analysis template 81 Add Samples To Be Analyzed 8 24 2015 Smith 10 samples gt Add Samples to Selected Template Samples can be added to the Table of Samples to be Analyzed Select the Template and select Add At the Front of the queue or the End of the queue General Information Template Los Gatos 20 Sample Los Gatos 20 Sample From 1000 To 11010 Number of non consecutive sample repeats I For example for an entry of 2 for 3 zamples named W 7 W 8 and W 9 one would have W 7 W 8 and W 9 on one template AND W 7 W 8 and W 9 on the next template Number of consecutive sample repeats For example for an entry of 2 for 3 samples named W 7 W 8 and W 9 one would have samples W 7 W 7 W 8 W 8 W 9 and W 9 all on one template Add At 3 Front of the queue End of the queue de
46. 1 3 11 3 11 3 11 3 11 3 11 3 11 3 11 3 11 3 11 3 11 3 11 3 11 3 11 3 37 3 37 3 37 3 37 3 37 3 37 3 37 3 37 3 37 3 37 3 37 3 37 3 37 3 37 3 37 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 1 00000 Mark Unmark View Edit F a 3 To normalize imported laser data double click on the last occurrence of an analysis number having a sign beside it This will mark for normalization all the H or O data accumulated since the last import and data normalization Because the default normalization method used in L MS for Lasers 2015 is bracketed normalization LIMS has already pre processed and normalized all of the isotopic data and the message Fully normalized Instrument Picarro or Los Gatos Research analyses have been identified appears Click OK Then click on Apply Normalization button to accept the LIMS normalization 4 You are finished Repeat this process from Step 2 for the second or third isotope delta e g 50 6 0 LIMS has used bracketed memory and drift corrected measurement sta
47. 10 Positions 3 1 to 3 3 Positions 3 10 to 3 12 Position 3 19 Position 3 28 3 28 3 10 3 1 3 2 1 1 1 2 1 3 1 4 1 5 3 3 LIMS Function DI Wash Normalization Drift Memory Normalization Drift Memory Normalization Drift Memory Normalization Drift Memory Normalization Drift Memory Normalization Drift Memory Control Standard Normalization Drift Memory Normalization Drift Memory Normalization Drift Memory DI Wash 185 Appendix 3 Correcting for Variations in 6 Values with Relative Water Concentrations It is well known that the values of one or more H20 isotopologue species respond positively or negatively and linearly or non linearly to very small changes in the relative amount of water vaporized into the laser cavity Variations in H20 amount injected and corresponding variance in results over the course of an autorun may be large or small depending on the quality and condition of the syringe Significant H20 random concentration variations typically arise from poorly performing syringes or from leaky septa When purposely manipulated a relative H20 concentration dependence correction algorithm allow opportunity to improve the results by normalizing H20 injection amounts using special amount controls e g using a 800 1000 and 1200 uL triplets placed at the start or middle of an autorun This implementation allows L MS for Lasers 2015 to automatically determine and app
48. 15 will warn the user about faulty sample and analysis conditions when data is imported This pre screening feature helps to ensure that users do not import bad data These warnings will not appear if the autorun data passes the preliminary screening tests LIMS There is a problem with one of the results The yield of water area of at A least one peak is too low Possible causes include Needle is jamming or sticky Septa is faulty Bad vials Please double check your instrument The average high area average of top 25 percent of area values is 1 924 Check the following analyses because at least one value of area is less than 85 percent of the average high area Analysis Area Q 1026 0 060 Example this sample vial was either insufficiently or over filled resulting in a low H O yield in the laser analyser with concomitant bad isotopic assay LIMS for Lasers 2015 warns the user which sample was problematic LIMS o There is one record whose delta oxygen 18 value is null For this record LIMS will set both delta values to 999 955 the area to zero the H2O Mean to zero the d 18 16 SD value to zero the d D H SD value to zero and will Ignore the analysis Example occasionally instrument faults may result in the reporting of null or blank isotopic data for one or more injections L MS for Lasers 2015 screens for null values in order to exclude null values in the sample normalization 125 12 Normalize Ev
49. 2 05 21 Kassa W 1867 Mkungo 3 35 2012 02 16 14 2 3 35 2012 05 21 Kassa W 1868 Chato Msikitini 2 92 2012 02 16 14 2 92 2012 05 21 Kassa W 1869 Kagoma Spring 3 7 2012 02 17 15 3 3 7 2012 05 21 Kassa W 1870 Rugaze 3 01 2012 02 17 11 7 3 01 2012 05 21 Kassa W 1871 Kagera Burifani 2 62 2012 02 17 11 4 2 62 2012 05 21 Kassa W 1873 Kagera hosp 3 52 2012 02 17 15 3 3 52 2012 05 21 Kassa W 1874 Daraja 8 Wetland 3 23 2012 02 18 14 1 3 23 W 1875 Bwongera 3 03 2012 02 18 13 3 03 W 1876 Katemwa 3 49 2012 02 18 15 8 3 49 W 1877 Ibondo stream 2 32 2012 02 18 12 5 2 32 W 1880 IND KA 02 7 14 2012 07 13 51 3 7 14 W 1883 Permafrost ICE 23 86 2011 12 31 179 4 23 86 W 1929 BUG 12 2011 gwd 2 7 2011 12 21 8 2 7 W 1931 1160301 201201 10 58 2012 01 15 71 10 58 W 1932 1160301 201202 10 08 2012 02 15 69 4 10 08 W 1933 1160301 201203 7 35 2012 03 15 49 739 SOTO mruguu3 rugddsS W 1024 116n3an112012n4 11 00 2012 04 15 2I Q 11 00 2012 06 28 MAramisc Arsmisc 9371 records found v Example search for all samples in all Projects with t80 values less than or equal to 2 o 145 Print a Sample Range To print the information and data from a range of samples Click on Print Sample Range and enter the range of W numbers click Print Alternately the information can also be saved into an Excel file 33 Es Print Sample Range Print a range of samples fram the T able of Samples by ente
50. 3 0 61 percent 1036 1037 W 34 1 17 0 46 percent 1050 1051 W 34 1 31 0 89 percent Between sample 180 memory 0 53 percent This value is based on the following data Analyses OurLabID Port Memory 1022 1023 W 34 1 03 0 36 percent 1036 1037 W 34 1 17 0 00 percent 1050 1051 W 34 1 31 0 69 percent Do you wish to continue mm Drift Correction with Time This option enables a user to correct instrument data from an autorun exhibiting strong linear drift using laboratory standards over time This is rarely the case as typically shown by a high error on the slope of the regression of the standard value versus time One can evaluate this option but one usually obtains the following message LIMS A Drift Correction with Time The standard deviation of hydrogen isotopic data is relatively high It is not M uM a y Use Linear Dritt Correction with Time 0018 e hr Note The Linear Drift Correction with Time is only available if Standard Import option is selected The value of the drift correction with time is also visible on the data normalization page in the column labelled Hourly Corr see Section 12 2 124 11 2 Laser Data Import Error Messages The two most common import errors stem from poor analyses such as those with low or highly variable H20 yields as a result of syringe or septa failure or from null data from dropped analyses or some other instrumental malfunction LIMS for Lasers 20
51. 31 1 14 3211 15 W 34 W 33 W 33 2 om un d Ll For all Picarro instruments the control of H20 injection amount is achieved by creating separate Methods on the PAL CTC or G2000 Autosampler panel Each method for a targeted volume must be added to autosampler Job Queue For example a Job Queue might comprise the following 4 methods into a single sequence where 1 6 uL here is the target amount for all samples e g Picarro Method O 0 DD U AS 1 2 uL Amount Std Amount 1 Method 1 6 uL Amount Std Amount 2 Method 1 8 uL Amount Std Amount 3 Method 1 6 uL Low Std Picarro Method 1 6 uL High Std Picarro Method 1 6 uL High Std Picarro Method 1 6 uL Sample Picarro Method 1 6 uL Sample Picarro Method and so on Job 1 Sample 1 to 1 Job 2 Sample 2 to 2 Job 3 Sample 3 to 3 Job 4 Samples 4 to 20 189 Autosampler UI 1 1 0 14 Amount 3 Method 3 E e e e ad E HH HH HH HEH HA HEH HE Mie ed HE E el i ii I HE d Ed e i e Mie efe s e fe s amp e m e a a Wi ba E E u x s u Autosampler Conner ter ASReadInit successful ASReadlInit successful Example Picarro G2000 Job Queue adding three amount linearity samples e g W 998 to the start of the autorun Each metho
52. 6 Sample 37 Sample 38 Sample 39 Sample 40 Hi Std Lo Std Lo Std Sample Sample Sample Sample Between Sample Memory Between Sample Memory VSMOW SLAP Normalization Sample Sample Sample Sample Sample Sample Sample Sample Sample Sample Between Sample Memory Between Sample Memory VSMOW SLAP Normalization 183 Appendix 2 Backend Databases and Template Design Worksheets The quick start backend databases provide convenient ready made 10 20 and 30 sample templates for Picarro and Los Gatos Research water isotope laser instruments These new backend files are downloadable from the IAEA and USGS Web sites as described in Chapter 3 1 E VICO G wor CoR wo ee Ls M 4 LGR 10 Sample USGS Stds gt gt I Close lame Mass Spec ID ab Std Cal vV5MOw2 SLAP2 ab Std Cal VSMOW SL4P GR 10 Sample USGS Stds GR 20 Sample USGS Stds GR 30 Sample USGS Stds Fmd Delete or in Prefix Sample Repeats MM TE TT 2 mi EGLE g wot hi u S B List 14 4 Lab Std Cal VSMOW SLAP gt Close lame Mass Spec ID ab Std Cal VSMOW SLAP P ab Std Cal VSMOW2 SL4P2 P icaro 10 Sample USGS Stds P icaro 20 Sample USGS Stds P icaro 30 Sample USGS Stds P Fmd Delete or instru Prefix Sample Repeats x p Make Backup These templates were pre populated to use USGS 46 and USGS 48 as the daily use High Low calibration standards USGS standards are assigned to Reference Samp
53. 66 i File File File File inomengridata e Date Modified 06012012 09 25 4 0 91 2012 10 282 07 31 2012 10 28 3 0731 2012 10 28 Ors O12 10 25 32 0 50 2012 03 34 32 ari30 2012 12 25 0702012 12 25 Or 0 2012 12 25 Ore P2012 U3 12 3 Ore reo 03 12 32 072r i2012 03 12 23 Ore re01 2 03 12 Ore 2012 01 10 2 Ore r i2012 01 102 Ore i012 01 10 3 Ore rf2012 01 10 3 Ore r2012 12 31 Ore role 127231 Ore rele 12 31 10 Ore reO12 12 31 0613 2012 12 21 0613 2012 12 21 em wr Local Drive Ti gt USE Key imnttgrfiashS LGR LIMS Sample Lists Date Modified F For L 0601 091420 csy arros Hle 00012012 03 14 32 4 Ld load sample fi 56513 File 06 01 2012 08 24 04 2 L desktop pn 41215 File 0601 2012 08 24 07 2 L h2n 21a 001_LIMS 274607 File 0504 2012 08 24 53 4 il LLL a Exit 5 The LIMS sample run list can now be loaded into the Los Gatos Research Sample List side in order to start the isotopic analysis 6 In the middle of the Los Gatos Research Configure tab click the LIMS Import button 108 sample List Standard List Run List Sample List ame EN Tray Position Tray Position eap eT Y Yo l zl o te ul Wea 7 2084 W 3 r 2086 DIW Wash 3 W 38 1208 STD11 W 3 r 208i DIW Wash 3 14 33 i 1208 STDOS Wes 2065 DIW Wash 3 Lip 14233 208 STDOS W 3 r 2086 DIW Wash 3 W 38 1208 STD11 W 3 r 1208 DIW Wash 3 Down 14 36 i 208 STD11 W 3 208 DIW Wash 3
54. 69 M 12469 M 12469 M 12469 M 12469 M 12469 M 12469 M 12469 M 12469 M 12469 M 12469 M 12470 M 12470 M 12470 M 12470 M 12470 M 12470 M 12470 M 12470 M 12470 M 12470 M 12470 M 12470 M 12470 M 12470 M 12470 M 12470 M 12470 8 q 9 1 1 2 2 d 3 4 4 5 5 6 6 8 B 9 g 1 1 2 2 3 d 4 4 5 5 6 6 7 7 8 8 2015 08 26 23 04 32 2015 08 26 23 04 32 2015 08 26 23 06 18 2015 08 26 23 06 18 2015 08 26 23 07 33 2015 08 26 23 07 33 2015 08 26 23 08 48 2015 08 26 23 08 48 2015 08 26 23 10 03 2015 08 26 23 10 03 2015 08 26 23 11 18 2015 08 26 23 11 18 2015 08 26 23 13 03 2015 08 26 23 13 03 2015 08 26 23 14 48 2015 08 26 23 14 48 2015 08 26 23 16 33 2015 08 26 23 16 33 2015 08 26 23 18 19 2015 08 26 23 18 19 2015 08 26 23 20 04 2015 08 26 23 20 04 2015 08 26 23 21 20 2015 08 26 23 21 20 2015 08 26 23 22 34 2015 08 26 23 22 34 2015 08 26 23 23 50 2015 08 26 23 23 50 2015 08 26 23 25 04 2015 08 26 23 25 04 2015 08 26 23 26 50 2015 08 26 23 26 50 2015 08 26 23 28 36 2015 08 26 23 28 36 2015 08 26 23 30 22 2015 08 26 23 30 22 2015 08 26 23 32 08 2015 08 26 23 32 08 EA j P3 55 60 9 TIA O Ju EE W 34 4 W 34 W 34 4 W 34 W 34 4 W 34 W 34 4 W 34 W 34 4 W 34 W 34 4 W 34 W 34 4 W 34 W 34 4 W 34 W 34 4 W 34 W 34 4 W 34 W 34 4 W 34 W 3 4 W 3 W 3 4 W 3 W 3 4 W 3 W 3 4 W 3 W 3 4 W 3 W 3 4 W 3 W 3 4 W 3 W 3 4 W 3 3 10 3 10 3 10 3 10 3 11 3 11 3 11 3 11 3 1
55. 8 DIW Wash 3 26 13 W 3 208 808 DIW Wash 3 28 7 14 W 3 208 808 DIW Wash 3 28 15 W 3 208 808 DIW Wash 3 28 16 W 3 208 808 DIW Wash 3 28 17 W 3 208 8087 DIW Wash 3 28 18 W 3 208 808 DIW Wash 3 28 18 W 31 7 1 208 808 My Lab Standard 1 3 10 20 W 31 208 8087 My Lab Standard 1 3 10 21 W 31 208 5087 My Lab Standard 1 3 10 22 W 31 7 208 808 My Lab Standard 1 3 10 23 W 31 208 6087 My Lab Standard 1 3 10 24 W 31 208 6087 My Lab Standard 1 3 10 25 W 31 7 208 808 My Lab Standard 1 3 10 26 W 31 208 6087 My Lab Standard 1 3 10 27 W 31 7 208 6087 My Lab Standard 1 3 10 28 W 32 208 8087 My Lab Standard 2 3 1 29 W 32 208 6087 My Lab Standard 2 3 1 30 W 32 208 6087 My Lab Standard 2 3 1 31 W 32 208 6087 My Lab Standard 2 3 1 32 W 32 208 6087 My Lab Standard 2 3 1 i z s f Run Complete Running a Sample List on a Los Gatos Research IWA 35 TIWA 45EP Instrument 2014 present The LIMS generated sample list saved to the flash drive is loaded directly into the Los Gatos Research IWA 35EP or TIWA 45EP instrument and it links sample data to the corresponding LIMS information The instrument should be ready to run as per manufacturer instructions 1 Place the flash drive containing the Los Gatos Research sample list file into the USB port of the IWA 35EP or TIWA 45EP laser instrument 2 Onthe Los Gatos Research instrument click the File
56. 81 Table A1 Recommended LIMS for Lasers 2015 template layout for a 40 sample Picarro G 2000 autosampler list shown below see previous chapters on template construction Total runtime for this template is approximately 38 hours Sample Vial Pos List LIMS for Lasers 2015 Function Hi Std 1 99 1 Between Sample Memory Lo Std 1 100 2 Between Sample Memory Lo Std 1 101 3 VSMOW SLAP Normalization Sample 1 1 01 4 Sample Sample 2 1 02 5 Sample Sample 3 1 03 6 Sample Sample 4 1 04 7 Sample Sample 5 1 05 8 Sample Sample 6 1 06 9 Sample Sample 7 1 07 10 Sample Sample 8 1 08 11 Sample Sample 9 1 09 12 Sample Sample 10 1 10 13 Sample Lo Std 1 92 14 Between Sample Memory Lo Std 1 93 15 Between Sample Memory Hi Std 1 94 16 VSMOW SLAP Normalization Sample 11 1 11 17 Sample Sample 12 1 12 18 Sample Sample 13 1 13 19 Sample Sample 14 1 14 20 Sample Sample 15 1 15 21 Sample Sample 16 1 16 22 Sample Sample 17 1 17 23 Sample Sample 18 1 18 24 Sample Sample 19 1 19 25 Sample Sample 20 1 20 26 Sample Control 1 78 27 Control Hi Std 1 99 28 Between Sample Memory Lo Std 1 100 29 Between Sample Memory Lo Std 1 101 30 VSMOW SLAP Normalization Sample 21 1 21 31 Sample Sample 22 1 22 32 Sample Sample 23 1 23 33 Sample Sample 24 1 24 34 Sample Sample 25 1 25 35 Sample Sample 26 1 26 36 Sample 182 Sample 27 Sample 28 Sample 29 Sample 30 Lo Std Lo Std Hi Std Sample 31 Sample 32 Sample 33 Sample 34 Sample 35 Sample 3
57. A See Appendix 1 65 Table 2 An Example 20 sample Analysis Template for Picarro Instruments CTC Pal The samples local measurement standards and control standards are arranged sequentially in positions 1 32 of Tray 1 The recommended procedure is 9 injections per sample ignoring the first 4 injections This template contains 32 rows of 9 injections each 288 individual injections Analysis time using the Picarro L2130i is 32 hours List is the order in which samples are analysed It is strongly recommended that Picarro instruments are pre conditioned with 1 2 deionized water samples immediately prior and following the autorun using the Coordinator software Injection amount is controlled by the CTC or G2000 Autosampler Sample Vial Pos Run Order Function High 6 Standard 1 01 Memory Normalization Low 6 Standard 1 02 Memory Normalization Low 6 Standard 1 03 Normalization Sample 1 1 04 Unknown Sample Sample 2 1 05 Unknown Sample Sample 3 1 06 Unknown Sample Sample 4 1 07 Unknown Sample Sample 5 1 08 Unknown Sample Sample 6 1 09 Unknown Sample Sample 7 1 10 Unknown Sample Sample 8 1 11 Unknown Sample Sample 9 1 12 Unknown Sample Sample 10 1 13 Unknown Sample Control Standard 1 14 QA QC High 6 Standard 1 15 Memory Normalization Low 6 Standard 1 16 Memory Normalization Low 6 Standard 1 17 Normalization Sample 11 1 18 Unknown Sample Sample 12 1 19 Unknown Sample Sample 13 1 20 Unknown Sample Control Standard 1 21 QA QC S
58. AP2 kiM Create a New Template Delete Edit Edit Vial amp Tray Positions Dupl ca Export Vial amp Tray Positions Import Vial amp Tray Positions General Information Last Edit Name LGR v2 SMOW SLAP 4 7 2015 10 44 01 AM Description 54 samples Instrument L LGR V2 Sample Information Printing Sample for Unfilled Positions w 3 mm Print sample list Number of injections lo 3 Print sample list and multi sheet template Under Name enter a relevant description e g Los Gatos Research 30 Samples Under Description add relevant additional details e g which Standards used Under Instrument choose L or appropriate letter for the Los Gatos Research laser The Sample for Unfilled Positions defaults to W 1 a dummy sample This dummy is used for example when only 20 samples are added to a 30 position template This field cannot be left blank Number of injections per sample leave set to 9 9 Click Save 10 Once saved the Name field cannot be edited only the description and other fields can be edited The template can be deleted and re created in case of a mistake QUEUE ue d 68 Design Templates LGR v2 SMOW SLAP2 General Information Last Edit 4 7 2015 10 44 01 AM Name LGR v2 SMOW SLAP Description 54 samples Instrument IL LOR W Sample Information Printing Sample for Unfilled Positions w 3 ura Print sample list Number of injections
59. At C3 Front of the queue End of the queue default position 4 We will calibrate local laboratory standards W 40 and W 41 using the VSMOW2 and SLAP2 primary reference waters From the template pull down menu see above choose the VSMOW 2 SLAP2 Analysis Template or VSMOW SLAP if using those primary reference materials 163 10 11 12 13 14 15 In the From and To boxes enter 40 and 41 respectively Set the number of non consecutive repeats to 1 each will be run once Set the number of consecutive repeats to 10 each sample will be run 10 times in a row as shown in Table 3 Click Add then Close On the L MS for Lasers 2015 Main Page Click Create Sample List for Instruments From the pull down menu choose the VSMOW2 SLAP2 Analysis Template In the window that opens below we see W 40 and W 41 are now queued to be run 10 times each in sequence Click Create the Sample List and save it to the Los Gatos Research instrument see Chapter 10 Measure the proposed laboratory standards as unknowns on the Los Gatos Research instrument Chapter 10 Their 6 values should be set to 999 o if they exist in the Table of References Chapter 7 3 Normalize evaluate and store the results as fully described in Chapter 12 Once completed and you are satisfied that your local measurement standards have been sufficiently characterized you may assign their 6 values in the Table of References
60. H20 yields or since some dehydrated salts have a strong affinity for water isotopic fractionation may occur through dynamic sorption of injected sample water with increasing salt buildup in less heated portions of the injector unit or sample transfer line 2 Spectral contamination though the incorporation of volatile organic compounds in the laser cavity The compromise of sample H O isotopic molecular spectra can occur through the introduction of interfering gaseous molecules in samples which absorb or distort the H20 isotopologue spectra Some volatile organics VOCs that cause spectral problems are alcohols and hydrocarbons like methane or ethane 12429 Others have observed spectral contamination from mixed VOCs from plant and leaf water extracts or landfill leachates 4 1 Importantly it may not be possible to predict a priori the magnitude of the negative impact that DOC or VOC may have on H20 laser isotopic analysis without explicit research and knowledge of the molecular absorption properties of the contaminant Currently Los Gatos Research and Picarro provide users with offline software to assess and in some cases attempt to correct for spectral contamination through the development of spectral libraries in their Spectral Contamination Identifier Software or ChemCorrect software respectively see the respective manufacturer Web site for details The screening output of this software is mainly in the form of a QA QC flag or tab
61. HSI Consortium of Universities for the Advancement of Hydrologic Sciences Inc and the U S Geological Survey https profile usgs gov myscience upload folder ci2015Feb1315555128050Coplen962 Oet9620al9620LaserSpecs9620vs9620IRMS pdf T B Coplen L Wassenaar LIMS for Lasers 2015 for achieving long term accuracy and precision of 9H 6 O0 and 6PO of waters using laser absorption spectrometry Rapid Communications in Mass Spectrometry in press accepted T Coplen B A Guide for the Laboratory Information Management System LIMS for Light Stable Isotopes Versions 7 and 8 2000 U S Geological Survey Open File Report 00 345 110 BIPM The International system of Units SI 8th edition brochure in English 2006 88 p http www bipm org utils common pdf si brochure 8 en pdf T B Coplen Guidelines and recommended terms for expression of stable isotope ratio and gas ratio measurement results Rapid Communications in Mass Spectrometry 2011 25 2538 R A Werner W A Brand Referencing strategies and techniques in stable isotope ratio analysis Rapid Communications in Mass Spectrometry 2001 15 501 G Lis L Wassenaar M J Hendry High precision laser spectroscopy D H and o o measurements of microliter natural water samples Anal Chem 2008 80 287 D Penna B Stenni M Sanda S Wrede T A Bogaard A Gobbi M Borga B M C Fischer M Bonazza Z Ch rov On the reproducibility and repeatability of laser
62. ID vial Pos Correction Coefs Range Mark Unmark View Edit F M 12469 a 2015 08 26 23 18 19 W 34 3 11 1 00000 M 12469 5 2015 08 26 23 18 19 W 34 3 11 1 00000 M 12469 9 2015 08 26 23 20 04 W 34 3 11 1 00000 M 12459 9 2015 08 26 23 20 04 W 34 3 11 1 00000 M 12469 71 2015 08 26 23 07 33 W 100 3 11 1 00000 0 00 M 12469 72 2015 08 26 23 08 48 W 100 3 11 1 00000 0 00 M 12469 73 2015 08 26 23 10 03 W 100 3 11 1 00000 0 00 M 12469 74 2015 08 26 23 11 18 W 100 3 11 1 00000 0 00 M 12469 75 2015 08 26 23 13 03 W 100 3 11 1 00000 0 00 M 12469 76 2015 08 26 23 14 48 W 100 3 11 1 00000 0 00 M 12469 P7 2015 08 26 23 16 33 W 100 4 311 1 00000 0 00 M 12469 78 2015 08 26 23 18 19 W 100 3 11 1 00000 0 00 M 12469 79 2015 08 26 23 20 04 W 100 3 11 1 00000 0 00 M 12470 1 2015 08 26 23 21 20 W 3 3 37 1 00000 M 12470 1 2015 08 26 23 21 20 W 3 3 37 1 00000 M 12470 2 2015 08 26 23 22 34 W 3 3 37 1 00000 M 12470 2 2015 08 26 23 22 34 W 3 3 37 1 00000 M 12470 3 2015 08 26 23 23 50 W 3 3 37 1 00000 M 12470 3 2015 08 26 23 23 50 W 3 3 37 1 00000 M 12470 4 2015 08 26 23 25 04 W 3 3 37 1 00000 M 12470 A 2015 08 26 23 25 04 W 3 3 37 1 00000 M 12470 5 2015 08 26 23 26 50 W 3 3 37 1 00000 M 12470 5 2015 08 26 23 26 50 W 3 3 37 1 00000 M 12470 6 2015 08 26 23 28 36 W 3 3 37 1 00000 M 12470 6 2015 08 26 23 28
63. LIMS for Lasers 2015 Laboratory Information Management System for Stable Hydrogen and Oxygen Isotopes in Water Samples by Laser Spectrometry User Manual Version v 2 0 2015 09 11 Foreword Measurement of the stable isotopes of hydrogen and oxygen 6 H 6 O 6 O in environmental water samples by laser spectrographs has become a routine cost effective analytical method for hydrologic and environmental studies around the world especially for analysis of relatively clean water samples Measurement of values by laser instrumentation usually provides accurate results but in situations where samples may contain interfering volatile organic molecules or where data are required for court or other legal purposes the results should be verified by isotope ratio mass spectrometry IRMS Laser instruments are easy to operate but incorporation of lasers into routine laboratory operations is not easy owing to data manipulations required by the operator Essential operations include sample and project management importing of instrument data files derivation of algorithms to correct for between sample memory dependencies on water amount and drift over the course of autoruns Some users developed complex data processing spreadsheets however spreadsheets are a challenge in maintaining long term QA QC or laboratory audits None of the manufactures provide data processing software that can address all of these needs Laboratory Informa
64. My Lab Standard 3 1 W 3 1 208 DIW Wash 3 28 W 32 1208 My Lab Standard 3 2 v a Peer er ieee 0 x 12084 DIW Wash 3 28 W 31 1208 My Lab Standard 3 11 i 208 DIW Wash 3 28 W 31 1208 My Lab Standard 3 12 A LIMS file loaded 1 208 DIW Wash 3 28 W 94 1208 Location 1 1 1 1 J 12082 DIW Wash 3 28 W 95 1208 Location 1 2 1 2 1 2082 DIW Wash 3 28 W 96 1208 Location 1 3 1 3 i 208 DIW Wash 3 28 W 97 208 Location 1 4 1 4 e Dnus W 98 1208 Location 1 5 1 5 W 99 7 208 Location 2 1 1 B W 33 208 My Control Stand 3 18 Standard Setup W 32 208 My Lab Standard 3 3 LIMS Import Standards To Run W 100 20 Location 2 2 1 7 Name sN Jira Position W 101 20 Location 2 3 1 8 120727 T2 01 02 01 W 102 20 Location 2 4 1 q Up W 103 20 Location 2 5 1 1 1 1 W 104 20 Location 3 1 Down Insert Delete Select All Trayo2 TrayO4 Standard Interleave Type One Standard per Sample Set uf gt Tray01 ray aveCfg ith LS un after Populate Tray WB Tray Tray03 SaveCfi Start with Samples f un after 0 samples LoadCfg 110 9 Click on the instrument Run tab and then click the Go arrow No further action or editing of the configuration is needed Allow the Los Gatos Research analyser to successfully complete the sample autorun 20 hours Sample Name Sample s Tray Pos H2O_Nem3 RawaettaD Rawdeita180 mg 12 W 3 J 208 80
65. O a PO II IO OS ES EE Time Mon Mar 9 09 47 35 2015 Gas Temperature 46 43 C File tiwia2015 03 09 f0000 txt Gas Pressure 1 05 Torr 9 Click on the Start button No further action or editing of any configuration is needed Allow the Los Gatos Research analyser to successfully complete the sample autorun below Pee mene moo Roo o to Eo me sene mo 00 em nens aum ne Ame jewe monos a moo em g wew eun as ame ewe one a A Gens aem aaar ue jeme mono a mo o em Gees sm mm ae O oo em asoma us cene aoa eme ona gt tom an enm aa am wee meme P m o rem a aen camp aem eve smo a mo oo pem Gamme en aosa ases ij sample 150309 11 03 3 8 nom 356168es16 81629 139674 366031 T Mon Mar 9 09 32 11 2015 Gas Temperature 46 43 C tiwia2015 03 09 f0000 txt Gas Pressure 0 92 Torr Space 98 114 10 2 Import Isotopic Data from Los Gatos Research Once the Los Gatos Research autorun is finished the hydrogen and oxygen isotopic data are imported into LIMS for Lasers 2015 for data normalization processing evaluation and reporting The completed autorun file is located in the Los Gatos Research data directory and must be transferred to the LIMS PC for data importing via flash drive or over a network connection The output file naming convention of the Los Gatos Research data file is h20 date 000 LIMS csv The date in this filename is the same as the imported sample list filename Los Gatos Resea
66. R V3 2015 01 27 Record M 1of5 b b BEL Y te Search Example screen of Survey of Unreported Projects 47 7 Isotopic Measurement Standards 7 1 Primary and Laboratory Isotopic Standards LIMS for Lasers 2015 comes with pre defined Projects for international primary standards and for daily use measurement standards that are used for normalizing the analytical results of routine water samples Primary Measurement Standards VSMOW2 SLAP2 To view the table of assigned values for international measurement standards 1 Onthe LIMS Main Page open Special Features 2 Click Assign Lab References 3 Click List top left to see 6 values of international measurement standards Reference Samples List 14 4 lw 9 gt G Add a New Lab Reference The Table of Reference Samples contains samples that serve as isotopic reference materials in UMS The true delta value is assigned in the Final Delta texthox Isotope Reference Information Delta 52H didi Sample ID sLap2 w bed Final Delta 427 5 26s Example SLAP2 has a Laboratory ID W 9 and assigned 5H value of 427 5 o Note that LIMS for Lasers 2015 follows recommendations of the Systeme International d Unit s the SI known in English as the International System of Units When 96 or o are used a space separates the number and the symbol 96 or 96e see section 5 3 7 of the 8th SI brochure Thus the assigned 6 H value of SLAP2 is 427 5
67. Sample 28 Sample 29 Sample 30 Control High 6 Standard Low 6 Standard Low 6 Standard Deionized Water Deionized Water Bracketed Normalization Unknown Sample Unknown Sample Unknown Sample Unknown Sample Unknown Sample QA QC Between Sample Memory Between Sample Memory Bracketed Normalization Unknown Sample Unknown Sample Unknown Sample Unknown Sample Unknown Sample QA QC Between Sample Memory Between Sample Memory Bracketed Normalization Unknown Sample Unknown Sample Unknown Sample Unknown Sample Unknown Sample QA QC Between Sample Memory Between Sample Memory Bracketed Normalization DI Wash DI Wash 64 Vial Layout for Default Los Gatos Research Analysis Template Tray3 Row1 Low 6 Standard x3 Tray3 Row 2 High 6 Standard x3 Tray3 Row 3 Control Standard x3 Tray3 Row 4 DI for wash Tray 1 Sequential unknown samples placed from position 1 to 30 See Table 1 for descriptions Layout of Samples on Los Gatos Research CombiPAL Front and Rear Tray Note In this Los Gatos Research analysis template the vials of each measurement and control standard contain 1 to 1 5 mL of water Triplicate redundancy of standards is intentional in order to avoid reliance on a single vial and to ensure best possible QA QC The volume of the daily laboratory standard water consumed per analysis template is 3 to 4 mL and was designed to correspond to the daily standard ampoules available to users from the USGS and IAE
68. Site Name Not all field names are required L MS for Lasers 2015 requires only Sample ID field in this custom list If you do not need Caption 7 e g Alkalinity then delete Alkalinity from the Caption 7 textbox and delete Alkalinity from the Excel template Once all required edits are made click Save and Close LIMS will expect matching headers in the customized Excel import file Changing Headers in the Excel Submission Template Open the unprotected Excel Submission template and locate the corresponding optional field s names to be changed In this example the header Aquifer can be replaced with Site Name 42 LIMS for Lasers Version 10 05 Feb 22 2012 Used with permission T B Coplen U S Geological Survey 431 National Center Reston VA 20192 Email tbcoplen usgs gov Water Resources vailable inm IAEA Programme duplicates 5 Lon Collection Date Time End Coll Date Time Elevation Length Unit Top Bottom Aquifer SSSS Yr M D 1995 11 15 18 30 114 4 f 60 7 113 2 Milk River 389 2012 02 28 00 00 normally blank 37 m 185 345 Nubian PE dE dE UE M JE T E dE EC i O Tq 1L IE db d JE dE ECL i E 1b JE db 7 O EE A E E E S Important Be sure all headers in the worksheet correspond exactly to those in the LIMS for Lasers 2015 options fields or the import will fail For optional fields left blank in LIMS for Lasers 2015 delete that column from the submission spreadsheet Caution Repea
69. Smith submitted 10 water samples to be run on a Picarro and a Los Gatos Research instrument His 0 and H samples span the Our Lab ID range of W 1001 to W 1010 below 78 A A B Purpose 1 1 1995 Reference Reference Gas Proxy for Lasers Donotdelete 2 2 9 27 2012 Test W 1 to W 2 Test or Dummy Samples 98 27 2012 Reference W 3 Wash and Conditioning Sample 9 27 2012 Reference W 5to W 30 Primary International References 9 27 2012 Reference W 31to W 69 id Use Lab Standards MT TT iato r D erc iol Zu zm O e 8 8 Add Samples to a Picarro Analyser Queue 1 Open Smiths Water Resource Project from the Project page by double clicking it 2 Click Add Samples to Instrument Template Projects List All Projects 4 4 ME o ds i Print Labels P j Print Small Labels Add Samples to Instrument Template Last Changed 8 24 2015 Date Results Reported General Informati Submission 8 24 2015 Customer Smith John Range w 1000 to W 1010 Purpose Resources Project Location REN Project Comments Number of samples with missing delta values Bu 11 samples Number of Missing 52H Samples 11 Number of Missing 6180 Samples 11 79 Add Samples To Be Analyzed 8 24 2015 Smith 10 samples Add Samples to Selected
70. Template Samples can be added to the Table of Samples to be Analyzed Select the Template and select Add At the Front of the queue or Delete the End of the queue Close General Information Template Picarro 20 Sample USGS Stds Picarro 20 Sample Template with From 1000 To 1010 Number of non consecutive sample repeats 2 For example for an entry of 2 for 3 samples named W 7 W 8 and W 9 one would have W 7 W 8 and W 9 on one template AND W 7 W 8 and W 9 on the next template Number of consecutive sample repeats h For example for an entry of 2 for 3 samples named W 7 W 8 and W 9 one would have samples W 7 W 7 W 8 W 8 W 9 and W 9 all on one template Add At Q Front of the queue 9 End of the queue default position 3 From the Template pull down choose Picarro 20 Sample and then click on the Add Samples to Selected Template button on the top right 4 The samples are now added to the Picarro 20 sample analysis queue 80 8 9 Add Samples to Los Gatos Research Analyser Queue 1 Open Water Resource Project from the Project page by double clicking it 2 Click on Add Samples to Instrument Template on the upper left Projects List All Projects H 4 TR 1 l Edit Delete Close Show Samples Export Results Delta Plot Invoice Print Labels Print Report Find Project By Invoice Mo Print 5mall Labels Add Samples to Instrument Template
71. a 6 H or 6 O and then enter the Our Lab ID range W numbers of the samples to be stored 139 Store Final Results to Projects Storing Samples in Progress saves the delta value of a sample for the selected isotope to the Table of Samples Select a range of samples to store by entering the Our Lab IDs which consists of a letter prefix W and the integer sample numbers and sel the isotope Isotope Delta Our Lab ID 6180 m Preferences Store Single Analysis 5 gt Sulfur Ww gt Water From 11001 to 1010 Store 6180 values of 6170 and 6180 companion samples 3 In the above example the final accepted 6 0 results for samples W 1802 to W 1821 are selected to be Stored for reporting To store a single sample type it s W number in the From box but leave the To box empty 4 Click on Store and LIMS shows the samples being stored and a message indicates its completion status 3toring Samples in Progress storing sample W 1804 5 Repeat the same process for H using the pull down menu Then close the Store Samples page 6 All samples for hydrogen and oxygen isotopic analysis for the selected range are now stored back to the Projects for final reporting Chapter 13 Important By default LIMS for Lasers 2015 does not store final data unless samples have been analysed twice or more To override this feature check the Store Single Analysis box only then will samples a
72. a 60 30 and 10 sample Los Gatos Research Analysis templates Start by constructing the largest 60 position template duplicate it and then edit it by deleting pages to obtain a smaller sample template For the default LGR template however this will also require you to recreate the pages of references and controls that follow the unknown samples Fortunately good performing analytical templates once created need rarely be changed Caution It is easy mistakenly overwrite an existing Analysis Template Be sure to first duplicate and rename an existing editable template before making and saving changes to it 72 8 5 Create a Picarro 20 Sample Analysis Template 1 From the Main Page open Special Features 2 Click on Analysis Templates 3 Click on Create a New Template Design Templates List Instrument Templates I4 4 Picarro kiM Create a New Template Delete Edit Vial amp Tray Positions Duplicate this Template Export Vial amp Tray Positions Import Vial amp Tray Positions General Information Last Edit 5 27 2014 2 50 00 PM Name Pica rra Description Pica rro 20 Sample Instrument P gt Picarro 11021 Sample Information Printing Sample for Unfilled Positions w 1 mm Print sample list 3 Print sample list and multi sheet template Under Name enter a short description e g Picarro 20 Sample Under Description add descriptive template details Under Instrument ch
73. aluate and Store Results 12 1 Normalize Data to VSMOW and SLAP Scales In this chapter we illustrate data normalization and evaluation Because the identical procedure applies to Los Gatos Research and Picarro instruments and is repeated for O O and H the process will be shown only once using a single isotope delta example 1 After data files have been successful imported from a laser instrument Chapters 9 and 10 on the main page of LIMS for Lasers 2015 click on the Apply Data Normalization button EBORE LINES foe Lorene L Sample Information j Create Sample for iesus Sample and Analysis Survey of Finda Sample gt a Findasample gt Unreported Projects Search For samples Evaluate Import a New Project Using Criteria Samples in Progress from Excel submission Print Export Print Export Create a New Project Sample Range Samples in Progress Add Edit a Customer View Edit Information Store sample Results about Sample Analyses to Projects Add Stored Samples Back tom Progress Track My Lab QA QC Water Resources IAEA Programme 2 From the pull down menu at the top of the window choose the appropriate instrument and the specific isotope delta to be processed Remember this procedure is performed twice once for H and once for O and optionally a third time for 1O Choose one instrument and isotope delta and click on Query 127 J Oso Nora 21 NN m Choose Instrum
74. alyses for either or both isotopes selected LIMS commonly uses the reference water most enriched in _ Camel E deuterium and oxygen 18 This is equivalent to adjusting b in the equation y mx b Next LIMS will normalize the scale expansion which is the m coefficient by using a second reference water which commonly is Antarctic water ar a low delta value reference water A result of this normalization is that after importing analyses and opening the Normalization Equation Coefficients form the Final Delta values of these reference waters will be identical to the values found in the Table of References in LIMS 2 AStandard Import With Choices Linearity correction and or between sample memory correction can be applied to data before they are imported into analysis tables of UMS 3 AStandard Import Data are imported as is that is without linearity correction or between sample memory correction In many laboratories hydrogen and oxygen isotopic data are imported with the Import With Normalization Over Sub ranges Bracketed Normalization because their baselines commonly drift randomly for unexplained reasons Carry over is a known problem of many of the syringes used for transferring the mall amounts of water analyzed by this laser based system LIMS is able to compute the average between sample memory from analyses of the same sample loaded into two sequentially analyzed vials 67H Data 6180 Data There are 15 samples in the im
75. ample 14 1 22 Unknown Sample Sample 15 1 23 Unknown Sample Sample 16 1 24 Unknown Sample Sample 17 1 25 Unknown Sample Sample 18 1 26 Unknown Sample Sample 19 1 27 Unknown Sample Sample 20 1 28 Unknown Sample Control Standard 1 29 QA QC High 6 Standard 1 30 Memory Normalization Low 6 Standard 1 31 Memory Normalization Low 6 Standard 1 32 Normalization O CON DWM E 0 NN HL W QU NO NO NO NO NO NO NO NO NJ NJ LB HB HG B p PPP BP Bb FPFOWMAN HDUBRPWNPRPOWO WON 0 Us UNO UJ NA 66 Vial Layout Example for Picarro Analysis Template Example 20 Sample Analysis Template and vial layout shown for Picarro CombiPAL Autosampler Blue capped vials are unknown samples Red capped vials are laboratory standards and control standards corresponding to the layout shown in Table 2 Above Front Tray of Picarro Combi PAL Liquid Autosampler Example 20 Sample Analysis Template and vial layout shown for Picarro G 2000 Autosampler Blue capped vials are samples Red capped vials are laboratory standards and control standards corresponding to the layout shown in Table 2 See Appendix 1 for an alternate layout Above Tray of the Picarro G 2000 Series Liquid Autosampler 67 8 4 Create a Los Gatos Research 30 Sample Template 1 From the LIMS Main Page open Special Features 2 Click on Instrument Templates 3 Click on Create a New Template Design Templates List Instrument Templates I4 4 LGRwZ SMOW2ZSL
76. amples and vials on the laboratory bench typically the day before the samples are analysed In this manner a second staff person can confirm that the correct sample has been put in the correct vial location on the multi sheet template printout improving laboratory quality Design Templates List Instrument Templates W 4 Picarrodepleted IPL Create a New Template Delete Edit Close Edit Vial amp Tray Positions Duplicate this Template Export Vial amp Tray Positions Import Vial amp Tray Positions General Information Last Edit 5 27 2014 2 35 28 PM Name Picarro depleted Description Pica rro 20 5ample Instrument P gt Picarro 11021 Sample Information Printing Sample for Unfilled Positions w 1 rm Print sample list 3 Print sample list and multi sheet template Enabling this option results in the standard one page sample sequence summary with additional multi sheet sample templates as illustrated below The 20 sample layout in the photo below illustrates a template with the corresponding samples and standards to be dispensed into laser vials 77 LIMS printed multi sheet template for sample organization 8 7 Add Samples to Analysis Templates To add samples to an analysis template a Customer and their Project samples must already exist in LIMS for Lasers 2015 see Chapter 6 1 For illustrative purposes we will analyse a Project containing water samples from John Smith see Chapter 6
77. amples can be analysed and reported using L MS for Lasers 2015 they are associated with a Customer or a client and their Project A Customer is the person responsible for the water sample submission and to whom the stable isotopic results typically will be reported A customer can also include laboratory and technical staff LIMS keeps track of all laboratory customers and the information associated with their data A customer list can be pre populated with clients or may be added individually over time Always ensure that a customer exists in LIMS for Lasers 2015 before attempting to create new projects Pay attention to correct spelling to avoid duplicating the same customer name e g Bill Smith William Smith To add a new Customer On the LIMS Main Page Click Add Edit a Customer in the Projects column Click Add Enter a Last Name First Name and other optional contact and address information Click Save then Click List to see your current list of customers To remove a Customer click on Delete PE ccce pe qe Customers ais f gt n Eit Add pelete cose General Information N Customer Number 1 Last Edit 6 11 1996 9 21 35 PM Last Name MyLastName FirstName MyFirstName Middle Name Institution My Institution Address Line 1 My Address Address Line 2 My Street Address City My City Country U5 gt United States of America State Province gt Unknown 27 The minimum
78. an use the original database file 174 Find Your Backend Access Database Computer Local Disk C LIMS Backend Search Backend Organize New folder B I Al Mi Mame Date modified Type Size 21 LIMS BACKEND DB for LGR 20121002 accdb 2012 10 04 08 52 Microsoft Access 2416 KB r Fa 3 al LIMS BACKEND DB for Picarro 20121002 acedb 2012 10 04 09 25 Microsoft Access 2 308 KB m Y Br Eu 3 Lit ES 1 a i BI File name LMS BACKEND DB for LGR 20121002 accdb Next the L MS Data Viewer needs to close Click OK a security warning may pop up if Trusted Locations were not setup LIMS Data Viewer Double click to re open the file LIMS Data Viewer accdb Click OK to the next 2 dialog boxes and re open LIMS Data Viewer accdb a final time Welcome to LIMS Light for Lasers Currently U S paper 8 5 x11 is enabled for reports To change this option click Special Feature on the Main Menu and click Options 175 LIMS Data Viewer Ez LIMS Data Viewer needs to close and update settings now Then you E LI can re open UMS 7 The LIMS Data Viewer is now successfully installed This should be your screen upon start up Organization Name UMS Data Viewer Projects amp Samples View Projects gt Find a Sample gt Search For Samples 4 Water Using Criteria 4 Resources Print Sample Range IAEA Programme Special Features
79. arity correction and or between sample memory correction can be applied to data before they are imported into analysis tables of UMS 3 A Standard Import Data are imported as is that is without linearity correction or between sample memory correction In many laboratories hydrogen and oxygen isotopic data are imported with the Import With Normalization Over Sub ranges Bracketed Normalization because their baselines commonly drift randomly for unexplained reasons Carry over is a known problem of many of the syringes used for transferring the small amounts of water analyzed by this laser based system LIMS is able to compute the average between sample memory from analyses of the same sample loaded into two sequentially analyzed vials 67H Data 6180 Data There are 15 samples in the import file without Import Type Import Type companion delta oxygen 17 and delta oxygen 18 f Import With Normalization Over Sub ranges Import With Normalization Over Sub ranges samples The first few are Bracketed Normalization Bracketed Normalization C Standard Import With Choice of Corrections C Standard Import With Choice of Corrections W 33 C Standard Import Import Data As Shown Standard Import Import Data As Shown W 34 W 35 W 998 Adjustment for Variation in Delta with Adjustment for Variation in Delta with Variation in Relative Water Concentration Variation in Relative Water Concent
80. ate Reported The arrows denote the ascending or descending sort order Reporting and Exporting Projects Searching exporting and combining multiple projects into a single report or a single or combined Excel files are done on the Project overview page Summary lists of all current or searched or sorted laboratory projects may be printed or saved to Excel files This feature provides a quick way to search acquire and summarize laboratory productivity information for annual reports Find Project s lect Project Criteria List of Selected Projects Close E f Ss Name Purpose contains m i Save List of Projects as Excel File Print After date Location contains Projects Ready To Report Print Reports of All 5 Selected Projects Create Excel Files of Data of Selected Projects 5 Files Combine Data of Selected Projects and Save As a Single Excel File A 5 A A A y Submission LastName Range Purpose Location Reported 1 1 1995 Reference W 4 Reference Gas Proxy for Lasers Do not delete 9 1 2012 9 27 2012 Test W 1 to W 2 Testor Dummy Samples 22 2 2 2 9 27 2012 9 27 2012 Reference W 3 Wash and Conditioning Sample a 2 2 9 27 2012 9 27 2012 Reference W 5to W 30 International References ll ee 27 2012 APER UP MM de vm
81. b etc The Add Range Option Manual project entry can be aided using the Add Range button located on the top right of the Login New Samples page see previous figure Add Range automatically inserts a range of named samples with incremental numbering Clicking on Add Range button opens an additional From and To field in the white box below Required Information The format of the From and To fields requires that both entries have the same nonnumeric prefix if there is a nonnumeric prefix Correct Range Entry Format Example From IAEA 001 To IAEA 200 Automatically adds 200 samples of consecutively numbered samples Example From IAEA 4 011 To IAEA 4 210 Automatically adds 200 consecutively numbered samples Example From IAEA200 To IAEA1 Automatically adds 200 consecutively numbered samples in decreasing value Incorrect Range Entry Format Results in Range Error Example From Test1 to Testsample200 non numeric prefix different 35 6 4 Create a O Project Some water isotope laser instruments can be purchased with 6 0 measurement capability These instruments currently include the Los Gatos Research TIWA 45 EP and the Picarro L2140i models If your laser has 6 O capability it can be enabled in LIMS for Lasers 2015 as described in Chapter 5 2 for the Los Gatos Research instrument and Chapter 5 3 for the Picarro instrument To avoid any confusion between dual and triple water iso
82. cord H 10f119 H Pe coi IM E IE MA ew x Go EI jum BE a UN VialPos Analysis Average Std Dev 1 04 K 457 150 32 0 14 1 16 K 469 143 36 0 27 1 17 K 470 150 32 0 07 1 05 K 458 231 0 19 1 06 K 459 1 62 0 04 1 15 K 468 2 04 0 11 132 12 3 Evaluate Analyses in Progress Once the customer s samples have been measured twice and all of the data are normalized to the VSMOW SLAP scales they remain in progress until they are evaluated by the analyst and stored The analyst should evaluate all results before storing them and passing them on to the customer The LIMS for Lasers 2015 data evaluation consists of two parts 1 checking the repeatability of all normalized samples that were measured at least twice and 2 checking the performance of control standards included in each autorun and over time see Chapter 12 7 1 On the main page of LIMS for Lasers 2015 click on Evaluate Samples in Progress sree ay pees pee Projects Sample Information Analyses in Progress View Projects gt Import Data from Instruments Sample and Analysis Survey of Apply Data Normalization Unreported Projects ra Import a New Project Usi iter Samples in Progress from Excel Submission i Print Export Create a New Project Range Samples in Progress Add Edit a Customer io Store Sample Results to Projects Add Stored Samples Back tom Progress Track My Lab 04 00 Water Resources
83. d Dev 2 C2 N gt Nitrogen OR gt Reference Sample ID DH 13 03 O S gt Sulfur Multiple Peaks Analysis Summary W gt Water Analysis Mean Std Dev _ 0 236 oo rom j802 To 1821 Q393 248 009 Ignore multiple peaks with right mouse button ETE rg Pa bd la Analysis Position Vs Delta Corr Coef Cor Delta muss ase fif wr pm gm poop 29 e mug aum 2 ww p qo rompo pz e muss ums 3 ww m pzs romo poo ps e mm us 3 ww p ju rompo fea mus us s w p ps rompo eas mw ass 5 ww p jme romo poo fas mugs ams 7 ww p 9 on oo fae mw us 9 wr puz wwe po fear mw us 3 wr jj rompo fae mmis uss 1 wv gm oz owe p fare mue um 2 ww pm ge romo oo ps e muss am 3 ww p pn romo oo pg e mwnyas us 4 wv po fase romo joo AWnyas ass s wv pu zm romo pu mue ums 6 wr pu ps romo joo mune us 7 ww pu p romo joo AWnyae uss wv pu poa ome joo awe us 3 wv p jay romo pu 2m Iw EN 2w Ir 2e r EIN Record 14 1 of 18 gt h k No Filter Search 7 Byclicking the List button top left or by using the navigation buttons arrow keys one can view individual samples to examine the measurement result s In the example the sample with Our Lab ID W 1804 was selected for 5 H This window displays the Sample Informa
84. d changes only the injection amount When importing data from a Picarro with amount control vials added follow the same procedure as for Los Gatos Research as shown in in Steps 3 5 above 190 Adjustments for Variations in Delta Values with H20 Concentration The import data screen below graphically reveals the injection performance overview with notable differences from the normal situation Here the amount control standard was manipulated in its H20 concentrations in blue and unknown samples are in magenta according to the injection sequence number The injection H20 response for a Los Gatos Research instrument was manipulated from approximately 3 7 to 4 8 x 10 H O molecules with a routine target concentration of 4 3 x 101 H2O molecules as above The relative water amounts in the laser cavity shown on the Y axis will be different for a Picarro instrument Normally only the amount control e g W 998 in blue is used for H20 relative concentration corrections In the example two unknown samples magenta were also manipulated for a higher and lower injection amount as a test of how well the correction performed Relative Water Concentration Continu Range M 12433 to M 12470 LLL Mean Relative Water Concentration 4 269 t 0 193 Print Of Regular Samples Excluding Reference Waters E 2 lam E Lal eo E o Oo Lom 2 aq o tr 100 150 200 Cumulative Injection Number References a Regular Samples
85. d into L MS for Lasers 2015 for screening data normalization processing and evaluation and final reporting to the customer The completed autorun CSV file is located on the Picarro instrument usually in the disk location called C lsotopeData The output file name will be the same one assigned in the Coordinator software at the start of the analysis run Some example Picarro CSV autorun files are shown below C lsotopeData File Edit View Favorites Tools Help Q sax E gt a ya Search fy Folders IES E X ie i Address Type Date Modified BJHDS2018_ HT IsoWater 20120719 070627 csv CSV File 7 20 2012 4 46 AM 2 HIDS2018_HT_IsoWater_20120718_074841 csv CSV File 7 19 2012 5 29 AM E HIDS2018 IsoWater 20120716 063214 csv CSV File 7 18 2012 3 23 AM HIDS2018 IsoWater 20120713 095314 csv CSV File 7 15 2012 6 44 AM 2 HIDS2018 HT_IsoWater_20120710_142408 csv CSV File 7 11 2012 4 57 PM HIDS2018 IsoWater 20120706 065107 csv CSV File 7 8 2012 2 20 PM HIDS2018 IsoWater 20120703 074130 csv CSV File 7 5 2012 3 16 PM HIDS2018 IsoWater 20120622 152432 csv CSV File 6 24 2012 9 53 AM Type CSV File Date Modified 7 20 2012 4 46 AM Size 150 KB 9 My Computer 1 Copy the correct Picarro CSV autorun data file to a USB flash drive or to a LIMS accessible network location 2 On the LIMS main page click Import Data from Instruments choose the Picarro instrument from the pull down menu and then click Import Choose the appr
86. d standards being analysed 5 Allow the analysis autorun to finish 30 hours for the default template gt e output file Run Sample Number Load Sample Descriptions Chang lename HIDS2018 IscWater 20120724 133527 csv a EET e Analysis Time Code Port Inj d 18 16 M d D_H Mean H20 Me Identifer 1 Identifier 2 Q 1089 2012 07 24 15 38 19 1 01 1 8 931 63 998 20255 W 36 208 808 STD11 Q 1089 2012 07 24 15 47 13 1 01 2 9 009 63 490 2027 W 36 208 808 STD11 Q 1089 2012 07 24 15 56 09 1 01 3 9 007 63 292 203 W 36 208 808 STD11 Q 1089 2012 07 24 16 05 05 1 01 8 999 63 142 20378 W 36 208 808 STD11 Q 1089 2012 07 24 16 14 00 1 01 5 8 995 63 128 20287 W 36 208 808 STD11 Sample description file Look in C3 Picaro LIMS Sample Lists v Q 3 E m E For_P_0607 csv ac uS Sasama ESE da ES For_Q_0713_103740 csv IAEA ARRANCA IIA My Recent seived injected Documents Ert gas sample preparation ME 2v A PI A wate 3 MI Se ees EET Desktop Alarms My Documents Ga System Alarm pr 4 MMMM H20_High 8 ENN H20 Low Picamo HIDS2018 H20 ppm File name For Q 0713 103740 csv v Open My Network Files of type Comma separated value file csv v Cancel 96 9 2 Import Isotopic Data from Picarro Once a Picarro water isotope analysis run loaded with the LIMS Identifier fields has finished the measured isotopic results can be importe
87. e Enable creation of as many as 7 backups Monday Tuesday Wednesday Thursday Friday Saturday and Sunday Location of Monday to Sunday Backups of Back end Database Q LIMS Archive Change Location Front end LIMS database Front end Database Location and Name CADumplLIMS_for_Lasers 10_071b accdb MV Always compact LIMS front end database when closing LIMS 3 The Backend Database location will reveal the location assigned above If not click Connect to a Different Backend Database and navigate to the target backend LIMS database 4 The compacting option forces a size compression you will be reminded when the database expands to occasionally compact it 5 Enable or disable backups and specify the location LIMS use a 7 day back up cycle e g Monday is replaced the following Monday This gives you a week of back up protection Note Backups are made when LIMS for Lasers 2015 closes These are NOT unattended or automatic backups Users are strongly encouraged to use other regular forms of automated or offsite backup network DVD USB flash drive cloud etc 18 5 Add New Laser Instruments 5 1 Add Los Gatos Research DLT 100 Series Laser Instruments To view install or remove 2007 2013 Los Gatos Research DLT 100 24D series water isotope laser instruments s in LIMS for Lasers 2015 1 Click Special Features 2 Click Instruments to view In the screen below click Add
88. e A LIMS for Lasers 2015 restart will be required Note When using a v 9 backend database only the medium W e g water 650 6 0 and 5 H and laser instruments will be visible to the user This is intentional no isotope ratio mass spectrometers IRMS or any other isotopic media e g C carbonates S gt sulphur etc will be visible even though they are still present in the backend database The 6 H and 6 0 results of water samples analysed by IRMS will also be shown in L MS for Lasers 2015 and they can be evaluated with any values from a laser instrument There is no danger to the backend database and all v 9 preferences are retained You can seamlessly switch back and forth between LIMS for Light Stable Isotopes and LIMS for Lasers 2015 Laboratory staff using only laser instruments for example may prefer to only use LIMS for Lasers 2015 Note When new water isotope projects are added using v 9 upon start up L MS for Lasers 2015 will alert the user that a project was created separately with L MS for Light Stable Isotopes v 9 This notice is informational only 4 4 Quick Start Backend Database In the following chapters of this manual we describe how to use LIMS for Lasers 2015 add new laser instruments design and create new analysis templates measure and normalize data and report results This information should be reviewed in order to better understand the software To get new users running quickly we also provide se
89. e Trendline box along with the fit R squared value 0 96 Also shown in the lower panel are the comparative uncorrected penultimate 6 O values of the 350 nl 5 7 o versus 450 nL 6 4 96o vials versus the same samples but now adjusted to normalized H20 amount 5 9 o based on the user selected fit To accept the proposed Quadratic correction model for 60 click Import Adjusted Delta Values This action will now import adjusted raw delta values for further processing 195 The following screen displays a run summary of data for both 6 H and 6750 Be aware these results show raw delta values normalized to a constant H20 amount but only for 670 in this case no other corrections such as between sample memory or linear instrumental drift have yet been determined or applied Nevertheless to illustrate the efficacy of the amount correction consider the following results Import Criteria for Instrument M LGR v4 Ignore relative water and delta values as appropriate Ignore multiple peaks with right mouse button OurlabID Vial Rel H20 IG 5180 lG a 12456 1 wees 328s UTM JM 12456 2 w998 328 JM W 12456 3 woes 328 JM JMJ 12456 a wos 328 M RN 12456 5 wees 328 429 T 1675 597 12456 6 woss 328 228 T 1682 603 12456 7 wees 328 425 157 3 T 588 12456 8 woes 328 427 1630 593 12456
90. e key Only the search result is deleted not the Project itself 13 3 Project Invoicing Some laboratories may want L MS for Lasers 2015 to generate a Customer invoice Assuming the user has checked the Display Invoices box on the Options form see Chapter 4 6 one can perform the following steps 1 In the View Project pane open the customer project to be invoiced In the Project page click on the Invoice button 3 Click Edit This automatically fills in previously supplied Customer information in LIMS for Lasers 2015 4 Complete the Sold By and Sold To fields Enter the price per sample 5 Print the invoice 154 Invoice Generation Invoice Information e Invoice Number 72 Addr1 Institution Name Invoice Date 2015 03 05 Addr2 addressi ttst lt isSS Addr3 Address2 00000 Account Number ar 23454 Addr amp Address 0 Addrs 0 0 00 Addr amp Purchase Order Billing Code Type of Samples 62H and 6180 Sold To Number of Samples in Project Ho oo Populate Sold To fields with this entry Number of Samples Billed o OoOo dm Price per Sample 2000 Surcharge Amount Ee Addr1 University of Texas Addr Surcharge Comment Addr3 Addr Austin Total 20000 Addr5 United States of America Invoice searches by number and outstanding payment are found on the main Project page Last Changed 2015 03 05 Note The currency format on this form is
91. e naming convention helps the laboratory keep track of Los Gatos Research sample lists as they accumulate F Save As CE lt LEN K LGRLIMS Sample Lists Search LGR LIMS Sample Lists Organize v New folder J v e Recent Places Name Date modified Type SES xl For_L_0801_091420 csv 2012 08 01 09 14 Microsoft A Libraries Documents 2 Music i Pictures B Videos E Computer L Local Disk C G2 Homedrive H E lims naal fl 1 Ga IHL Vinaal f1 J ex LEN K de Endnote Files Lo LGR LIMS Samy Jo UMS Light de Lime9 065 fora 4 m File name For L 0801 091420 csv Save as type All file m Hide Folders Tools v Select Cancel 10 A Printer dialog box may open asking where to print the sample list e g default printer A one page summary of the analysis sequence is printed 11 After printing the queue reopens and we note the sample repeats have been decremented from 2 to 0 These samples are now flagged with a 0 since they will have been run twice albeit within the same autorun They can be deleted from the queue 12 An example printed list of samples to be analysed next page reveals the vial position and the Our Lab ID of the local measurement standards controls and the samples 13 Fill the 68 vials each with 1 5 mL Use the small W labels affixed or written to the side of each sample vial Load the autosampler trays with the sample and
92. e software application developed and maintained by T B Coplen at the U S Geological Survey USGS in Reston Virginia USA This software is a result of a collaborative effort between the IAEA Isotope Hydrology Laboratory IHL and the Reston Stable Isotope Laboratory RSIL of the U S Geological Survey USGS L MS for Lasers 2015 is provided at no cost to users Currently OA ICOS laser instrumentation is offered by Los Gatos Research Inc www lgrinc com and CRDS laser instrumentation is offered commercially by Picarro Inc www picarro com Any use of trade product or firm names in this publication is for descriptive purposes only and does not imply endorsement by the IAEA or the U S Geological Survey 2 LIMS for Lasers 2015 at a Glance 2 1 LIMS for Lasers 2015 at a Glance Organization Name LIMS for Lasers 2015 Sample Information Analyses in Progress ojects Import Data from Instruments Sample and Analysis Survey of Apply Data Normalization Data Apply Data Normalization Unreported Projects Im E Import a New Project Using Criteri Samples in Progress from Excel Submission A Print Export Create a New Project ple Range Samples in Progress _ Add tditaCustomer i Store Sample Results to Projects Add PE Samples Back Special Features Close to In Progress Instrument Templates Next Sample Number _ TrakMylabQA QC My Lab _ TrakMylabQA QC Assign Lab References Lab Ref History Instru
93. ed mean between sample memory correction is applied to a samples analysed regardless of their measured 6 values As a matter of good practice we recommend ignoring the first 3 4 injections which should result in lower between sample memory usually lt 1 2 96 See Chapter 11 for details on the calculations Adjustment for Variation in 6 with Water Concentration Studies have shown the 6 value dependence of each isotopologue species is often strongly correlated to concentration of water vapour in the laser cavity This concentration dependence affords an opportunity to improve isotopic results by purposely adjusting H20 injection amounts using a targeted laboratory standard e g using a 800 1000 and 1200 uL triplets placed at the beginning of each run This will allow LIMS for Lasers 2015 to determine H O concentration correction algorithms for each 6 value A H20 concentration adjustment algorithm provided it is robust can be applied to all sample injections to normalize raw 6 values to a constant water injection amount Depending on the instrument a concentration adjustment may result in marked improvement in the isotopic results for one or more isotopologues and can help to smooth out for example the effects of variable syringe injection performance See Appendix 3 how to set up optional Adjustments for 6 with Relative Water Concentration Instrumental Drift Temporal instrumental drift in L MS for Lasers 2015 is quantified using a
94. edited and changed to construct your own laboratory information needs and graphics 41 Any data field customizations to the Excel template will require editing L MS for Lasers 2015 optional sample information This is due to the fact that the field names in the Excel template must have a corresponding field name in LIMS for Lasers 2015 On the Main page click Special Features and click the Options button On the right panel there is a list of User Definable Captions that can be changed and used in the Excel file Options General Preferences Names for samples Form and for Excel File to Import New Projects Organization name Organization Name e HW Sample ID Default country US gt United States of America User Def Caption 2 Aquifer Used in forms 2 JRiver Lake Paper Size for Reports Print Destination CUS letter C Default Printer 5 na Fi ep etale Panties er Def Caption 5 Temperatu re sar Def Caption 6 pH Use meters as default for distances instead of feet Caption 7 Alkalinity v Maximize UMS Main Menu form Other Info Other Info m Include Sample ID and abbreviated project information User Def Caption 4 Conductivity on printout of List of Samples to be analyzed Top Top Display Invoices Battom Bottom To change any of the field names e g Aquifer Conductivity pH etc to your own preferences click Edit and change the fields For example Aquifer might be changed to
95. eference waters aids a laboratory in achieving high level QA QC levels e Cases of 144 glass ampoules each containing 5 mL of calibrated water in a variety of isotopic compositions e VSMOW is a primary measurement reference standard for water isotopes VSMOW 25 mL provided in five 5 mL autoclaved glass ampoules see http isotopes usgs gov lab referencematerials VSMOW pdf e All are available from the USGS at the following Web link see http isotopes usgs gov lab referencematerials html 0H 10 3 Lo 00 2 238 Case of 144 ampoules having 5 mL of Biscayne Aquifer Drinking e Water per ampoule OO 2 238 te Case of 144 ampoules having 4 mL of Ice Core Water per oH 10 3 Lo OH 235 8 o ampoule 8 0 29 80 X Case of 144 ampoules having 5 mL of Ice Core Water per ampoule OH 235 8 0 0 29 80 Case of 144 ampoules having 5 mL of Lake Louise Drinking Water per ampoule Case of 144 ampoules having 5 mL of Puerto Rico Precipitation FH 150 2 5 8 0 19 80 3 International Atomic Energy Agency Water Resources Section The IAEA provides daily use laboratory standards to member states through its Technical Cooperation TC programs Please consult the IAEA Web site or TC officer 159 14 3 Analysis Templates for Calibrating Local Measurement Standards LIMS for Lasers 2015 comes with 20 sample Analysis Templates for the 650 and SH calibration of daily use or in
96. efix Our Lab ID W 1011 Mean Final Delta 106 97 relative to VSMOW CI C gt Carbonate Mean 1 106 97 Std Dew 1 0 45 O G gt General Submitter Test E o m Mean 2 Std Dev 2 CIN Nitrogen C R gt Reference Cc scr Subm Date 8 26 2015 f EEP N E w gt Water sample 10 Erom 1011 To 1020 M 12436 107 29 M 12454 106 66 Right mouse button info available for Instr Error Date Analysis imi Position Conc Error e170 Corr Co Com emo ie Date Analysis Position Conc 5170 Corr Coef Corr 6170 Ignore multiple spspos mase n 12 io po fe injections with rit spen wamse 72 13 _ B9 jo f E mouse button spspom mazass 73 31 hee po sasos mazes a at __ Boxe po fe Fsmsnoi mazass 7s 11 pss oes 200000 poo ues T 8 26 2015 wazess 76 11 ze 05s ooo oo pes m Fsmspois mazass 77 i3 paz oso 2 00000 peo uev T smemois wizese ra ia fars 10865 joo oo pss spspos wares i pe po FM smspo wazes m x0 how po w memos wazsa 78 i Bom po spspom mazas a x3 _ ox po 8 26 2015 wazess rs ixi e295 Horas 6ooooo poo forss T sso mazasa 76 iii ze fosse ioo poo ues T 8 26 2015 merasa r ixi zs possa i00 joo froasa Fsmspors mazasa 78 iir zs o
97. ent and Isotope lal Juery Print Close L Los Gatos for 2H L Los Gatos for 180 P Pi P Pi carro for 2H carro for 180 In the window that opens below the last 500 analyses for the selected laser instrument will be shown The analysis list is sorted by date the most recent samples are shown by default Older data can be viewed by lowering the analysis numbers from and to fields and then re querying the database The data fields shown are Analysis The instrument prefix and its counter L P etc as provided by the laser instrument Inj This is the sample injection number Here each single sample is comprised of nine injections There are two instances of each peak number one is H and the other is 10 Date time The instrument date and time stamp of the analysis Our Lab ID The LIMS sample name The plus sign beside Our Lab ID denotes the isotope delta selected in Step 2 to be normalized here H on a Picarro Vial Pos The autosampler tray position of each sample 128 Data Normalization Choose Instrument and Isotope Delta M LGR v4 for 52H m Right mouse button information available PE Analyses from 11970 to 112470 for columns with blue column headings F Our Lab ID Vial Pos Analysis Inj Date Time Print Close Correction Coets Range M 12468 M 12468 M 12468 M 12468 M 12469 M 12469 M 12469 M 12469 M 12469 M 12469 M 12469 M 124
98. ernational measurement scales See Appendices for Sources and Templates for Daily use standards LIMS for Lasers 2015 comes with over 35 free placeholders for user supplied measurement standards in a Project called Lab References whose Customer is named Reference These measurement standards have pre assigned LIMS Laboratory ID numbers from W 31 to W 69 see previous Figure Your laboratory can add its own lab standards to this project Be aware a default version of LIMS for Lasers 2015 does not have any 6 values assigned to the lab measurement standard placeholders in the Table of References To assign known values one must edit the measurement standard names and then Add their 6 values to the LIMS for Lasers 2015 Table of References For example we can edit a new High and a Low value local measurement standard and add a Control standard into the Table of References These have the following known 6 values relative to VSMOW 18 High Standard 50 0 07 o 6 H 4 1 o 5 0 0 2 Low Standard 50 24 76 o 5 H 189 2 o 5 0 14 2 Control 50 999 96 SH not assigned Note The Control must be assigned a 6 0 value of 999 o which acts as a LIMS flag to denote the 6 0 of this standard is always null It should not be assigned a 6 H value Because the control is null LIMS for Lasers 2015 will not use it in any normalization when it is included in analysis runs although the user will be able to mo
99. fault position Remember LIMS analysis templates are unique for each single instrument 8 10 The Add Sample Options There are several useful features on the Add Samples to be Analysed pages above to consider before clicking Add samples to the queue button From and To Boxes The From and To option boxes confirm the Lab ID range of the samples to be added to the queue By default all of the samples in the customer project are proposed to be added to the queue samples of John Smith from W 1001 to W 1010 However if one wanted to select only the first five of Mr Smith s samples one could enter 1005 in the To box 82 If one wanted to measure only the last five samples of his Project one could enter From 1006 To 1010 Number of Non consecutive Repeats Default Setting 2 The Number of Non consecutive Repeats is normally set to 2 This means the laboratory will run Mr Smith s samples twice using 2 different vials on that analysis template and preferably on different days For example for a small 3 sample 1 2 3 project Setting 1 Sample Queue 1 2 3 Setting 2 Sample Queue 1 2 3 1 2 3 Setting 4 Sample Queue 1 2 3 1 2 3 1 2 3 1 2 3 Number of Consecutive Repeats Default Setting 1 Changing this to a higher value means each sample is queued into groups so for a small 3 sample 1 2 3 project Setting 1 Sample Queue 1 2 3 Setting 2 Sample Queue 1 1
100. fere 20120927 1 31 W 3 Low Standard Refere 201209027 1 32 W_ 3 Low Standard Refere 20120027 Vial Pos Our Lab ID Sample ID Example Analysis template list 13 On the Picarro autosampler the measurement standard and sample vials are set up for analysis using the layout s described and presented above in Table 2 Double check the printed LIMS sample run list to ensure that all vials are located in the correct positions which will depend on which liquid autosampler model is being used 94 In the figure below left side a Picarro G 2000 Autosampler screen is shown for the 20 sample analysis template 20 samples plus standards for a total of 32 samples Each sample is set to be measured 9 times as per recommendations starting with Tray 1 Position 1 On the older CombiPAL control unit not shown the same analysis setup is done using the handheld PAL unit Note no pre analysis conditioning samples or post analysis wash samples are listed The reason is that the Picarro CSV data output file should contain only our LIMS sample data and not any pre conditioning or wash sample data But see Appendix 1 Autosampler UI 1 0024 IHL5 Picarro Default 1 Autosampler UI 1 0024 IHL5 Picarro Default Job Queue Method Run Chg Syringe Load IHL5 Picarro Default X Save Delete i 5 Pre Rinse 2 0 Load Queue Save Queue Tray Start End Pre Rinse 1 0 zi HE M gt msPcaroDefaut gt
101. g errors e Load the last used sample list useful for repeating runs without having to go to the steps of adding samples from the Project page again Create a Sample List Make Backup w No a umm jw 105 ke i oW 1008 2 38 C0 08 Le n 200 m5 2 jw to Ew j Retrieve Last Sample List LIMS for Lasers 2015 Manual Sample Queue Editing 86 8 12 Repeated Samples in LIMS for Lasers 2015 LIMS for Lasers 2015 default policy is that all samples are measured twice preferably on different days It is good laboratory policy to run two or more repetitions of each sample in different vials This policy can be manually overridden see Chapter 12 5 The benefit of having two or more analyses of the same sample promotes good laboratory practice helps catch vial placement errors allows the operator to check the consistency between two or more analyses of the same sample helps identify problematic samples e g poor repeats and allows one to compare the performance of sample repetitions with control standards in the same run This approach gives realistic metrics of overall laser performance Note to obtain sufficient 5 O precision some suggest at least 50 or more replicates in multiple vials are needed compared to routine 6 O and SH analyses 8 13 The Next Sample Number The Next Sample Number button is located in the Special Features section This utility allows one to s
102. h instrument ID prefix and date format in the Time Files tab 23 5 3 Add Picarro Instruments To view install or remove a Picarro all generations laser instrument in LIMS for Lasers 2015 1 Start LIMS for Lasers 2015 2 Click Special Features 3 Click Instruments to view In the screen below click Add Instruments P Save Cancel General Information and Preferences Instrument ID E e Short Name Picarro 21401 Sample Export Format Picarro a ha Check for missing analyses when opening UMS Ey Number of injections of each sample to Ignore 1 fo Information and Preferences L gt Y 510 Capability 4 Enter P in the Code box 5 Enter a short descriptive name for the Picarro instrument 6 Fromthe Analysis import format pull down menu pick Picarro If the Picarro instrument is a 2140i with 6 O capability check the 5 0 box 7 Click Save then Click on List the new Picarro instrument should appear here For best results we recommend a total of 8 injections per sample and ignore the first 4 injections shown above See discussion on templates for rationale for ignoring injections and other options Chapter 8 2 To remove a Picarro instrument click on Delete If analyses for the Picarro instrument have been imported into LIMS for Lasers 2015 the instrument cannot be deleted 24 Number of Injections The number of ignored injections is in
103. h variations in relative water concentrations appears in Appendix 3 Accept the defaults for now A summary of the autorun with all measured 6 H and 6 O values and relative H20 concentration appear with column headings of analysis number injection number Our Lab ID vial position relative H2O concentration and 6 values with ignore columns The summary Statistics using non ignored injections for each sample are shown Note that ignored the first 4 injections per sample as specified in the Instrument settings for this specific instrument Note Coordinator ignore flags are ignored in LIMS for Lasers 2015 Before clicking Continue use the scroll bar to scan for outliers in Rel H20 Conc 2 17 is a reduced number to represent a volume fraction of H20 of 21 700 ppm in the Picarro instrument and for any value outliers Outliers may be ignored by clicking the Ignore box next to each item Checking IG Conc automatically checks the ignore boxes of both of the corresponding 6 H and 6 O data If all of the data appear OK click Continue 100 Import Criteria for Instrument K Picarro 21401 Ignore relative water concentrations and delta values as appropriate lgnore multiple enu with dris mouse button OurLablD Wiz Rel H20 IG Positio Conc 6180 psa a was rnc oe IR se e im Cen 2 wae ron 20 mM 74 oms 34 e wae 31m 25 MP sn W ose L3 a wee 3e 2 mM a W os L3 s wee am 25 T
104. he laser instrument and copy to USB flash drive Chp 9 1 10 1 C In the Laboratory 5 Pipette project sample waters and laboratory standards into labelled 2 mL vials 6 Arrange samples and laboratory standard vials in correct trays and positions Chp 8 3 D On the Laser Instrument 7 Copy the Sample List file to the laser instrument from USB flash drive Chp 9 10 8 Runthe Sample List on Los Gatos Research or Picarro laser instrument 9 Copythe appropriate completed autorun data output file to a USB flash drive E Analysis in Progress Column 10 Import Data from Instruments use default or custom correction Chp 11 11 Apply Data Normalization Chp 12 1 12 Evaluate Analyses in Progress Chp 12 3 13 Store Final Accepted Results to Projects Chp 12 5 14 Track My Lab QA QC to assess overall performance Chp 12 7 F Projects Column 15 View Projects Reporting Results to customer Chp 13 1 3 Computer Software Requirements 3 1 Computer and Software Requirements Required e Windows PC with USB or LAN connection to a laser instrument L MS for Lasers 2015 can be used on an Apple computer using windows Boot Camp or virtual Windows PC e Microsoft Access 2007 2010 2013 32 bit only for Windows 7 8 1 10 32 64 bit e LIMS for Lasers 2015 frontend v 10 07 or later e Anewor existing LIMS backend database for current LIMS users e Anewor existing LIMS folder location for the backend database netw
105. house laboratory measurement standards These analysis templates use the primary reference standards VSMOW and SLAP or VSMOW2 and SLAP2 measured along with sufficient replicates of the proposed local laboratory standards New templates using primary reference standards can also be constructed using the LIMS for Lasers 2015 analysis template wizards Chapter 8 4 and 8 5 Each proposed daily use 6 O and 5 H laboratory measurement standard should be measured 10 times or more against these isotopic reference standards in order to provide sufficient data to determine measurement uncertainty It is good practice to have other laboratories measure your proposed laboratory standards for external verification before assigning their assigned delta values in the L MS for Lasers 2015 table of references Table 3 Template for Calibration of Laboratory Standards using Los Gatos Research Instrument In this template 20 laboratory standards are arranged sequentially in Tray 1 As shown 10 each of two proposed laboratory measurement standards are arranged sequentially The primary reference standards VSMOW amp SLAP or VSMOW2 SLAP2 and wash samples are arranged in Tray 3 rear tray each in their own row The recommended procedure is 9 injections per sample ignoring the first 4 injections List 4 is the order which samples are run Sample Vial Pos LIMS for Lasers 2015 Function Deionized Water 3 19 Instrument Conditioning Deionized Water 3 19 Inst
106. hydrogen 2 memory 0 50 This value is based on the following data Analyses OurLabID Memory 342 343 W 34 0 54 356 357 W 36 0 51 370 371 W 34 0 53 384 385 W 36 0 42 Between sample delta oxygen 18 memory 0 30 This value is based on the following data Analyses OurLabID Memory 342 343 W 34 0 51 356 357 W 36 0 31 370 371 W 34 0 22 96 384 385 W 36 0 16 Do you wish to continue OK Cancel 101 8 The sample drift and memory corrected data is imported into LIMS Importing Instrument Analyses from XWAPC HomesMAPU Home Ww AS 5EMH AA HL5DesktopHIDS2018 HT Isowater 20120719 7 527 csv Processed 36 spreadsheet rows Imported 108 records 9 Atthe end of the import LIMS for Lasers 2015 verifies the data has been imported Click OK Import Analyses End of importing Imported 664 records Analyses Q 1054 through Q 1085 imported 10 Normalization evaluation and storing of final results are outlined in Chapter 12 102 10 Run Samples on a Los Gatos Research Laser 10 1 Create a Sample List for a Los Gatos Research Instrument By example we will create sample run list for a Los Gatos Research laser instrument 1 Ensure samples are added to the Los Gatos Research queue see Chapter 8 9 2 Inthe Main LIMS Page click Create Sample List for Instruments 3 Choose List and click on LGR 30 Samples and the sample queue opens Create a Sample List
107. icarro The measurement sequence on the right matches the Analysis Template in Table 4 167 15 Spectral Contamination FAQs Log Files 15 1 Salt Build up amp Spectral Contamination Liquid water samples from the natural environment e g surface water groundwater lakes usually contain dissolved ionic species e g TDS Ca Mg Cl HCO3 etc or may have dissolved organic matter or volatile organic compounds e g DOM VOC hydrocarbons present The concentrations of such dissolved constituents varies widely in nature ranging from nearly pure water in glaciers or rainfall ug L levels to hyper saline ponds g L levels or petroleum contaminated groundwater containing a complex mixture of semi and volatile organic compounds Other water test samples may be from extracts of water from plants high DOM VOC or from soil pore water high DOM or TDS and may contain unknown VOCs There are two main areas of laser liquid water sample introduction where the dissolved constituents of water samples cause problems for users of laser spectrometry 1 Build up of inorganic and organic salt in the injector unit Aside from the usual jamming of the syringe salt build up is a well known issue discussed in all of the laser user manuals The remedy is periodic washing and cleaning of the heated water injector module interface or on an as needed basis The build up of salts can cause H20 transfer line blockage manifested in lowered or variable
108. ick OK Note some IT policies may not allow using the Windows Desktop as a trusted location 4 Starting with LIMS for Lasers 2015 4 1 Setup LIMS for Lasers 2015 New Laboratory 1 Create LIMS for Lasers 2015 folders on any hard drive on your PC for the user interface backend database and for backups e g C LIMS The LIMS folder should be located on a dedicated computer or on a reliable and preferably fast mapped network drive a C LIMS Backend b C LIMS Frontend c C LIMS Backup 2 Ensure Microsoft Access 2007 2010 2013 32 bit only is installed Ensure MS Access has C LIMS and subfolders added as Trusted Locations see previous chapter 3 Download and extract an unopened version of the latest LIMS for Lasers 2015 front end interface e g LIMS for Lasers 2015 10 07 zip into C LIMS Frontend 4 Download and extract an unopened instrument specific backend for new laboratories e g LIMS Backend for Picarro zip into C LIMS Backend 5 Consider renaming the LIMS backend database to something more descriptive of your laboratory such as My Laboratory LIMS Backend accdb 6 Keep backup copies of the original unopened ZIP files for safekeeping 7 Inthe Frontend folder open the file LIMS for Lasers 2015 10 07 accdb or later version You may also create a Windows shortcut to this file on your desktop for easy access 8 If you encounter this security warning then Trusted Locations were not se
109. information required is Last Name and First Name all other customer fields are optional Customer information can be updated later by choosing the client name from the List menu and then clicking Edit The clients Reference and Test are pre set entries that can be used for running laboratory tests or calibration samples Note A customer cannot be deleted if their project has stored data 6 2 Add Projects and Samples Projects are defined as a set of water samples submitted by one customer for the analysis of 6 H and 6 O 6 0 for a particular purpose and or from a specific location e g Project Name Location LIMS for Lasers 2015 comes with projects for international primary measurement standards e g VSMOW2 SLAP2 and for local laboratory standards e g your own calibration standards A test project is also included typically used for dummy or conditioning samples These predefined projects should not be deleted Your laboratory measurement standards and tests waters can be added into and edited within these dedicated Projects New customer projects are created in one of two ways e Manually entering customers and their sample information e Automatically importing customer sample information from an Excel submission template The second option may be preferable since it contains information supplied by the customer and accompanies the water samples arriving at the laboratory Importing project informat
110. ing 618p Samples 22 The upper part of the project pane grey buttons display several action items that apply to the opened Project These include 31 e Editing and viewing individual sample details in Show Project Samples e Add Samples to an Instrument Template e Creating Showing the Companion Project for 5 0 optional e Printing sample bottle or laser vial labels e Printing a hard copy of the project report for the customer e Graphing a H vs 6 O cross plot of the results Delta Plot e Exporting Project results to an Excel spreadsheet e Invoicing features optional e Deleting a Project click the Delete button this action can only be done if no analyses have been imported into L MS for Lasers 2015 The above information can be edited by clicking the Edit button on the top of the window Samples and Analyses In a project summary window clicking on the Show Project Samples button opens up information about each sample in the project Navigation through the samples is performed by using the arrow buttons or the List All Samples button both at the top left of the Window Samples List All Samples 31 k Reference 6 6 2006 Print Project Close y Lab ID W 31 Sample ID w 31 Control Aquifer Comment Delta Value 61 40 96a 3 Temperature E pH 8 0 Alkalinity Comment Other Info IHL Lab Std 6 Delta Value 8 640 96a Decimal Degrees lat tn Accuracy Me
111. ing the Delta Plot feature Clicking on the Delta Plot button produces a 67H versus 6 O cross plot for the Project samples Be aware the data axes will scale according to the project data This plot provides a quick means of visualizing the correlation between the two isotope deltas arising from global meteoric relationship GMWL Outliers that fall far away from a linear relationship may be suspect or they may be OK Non linear relationships on this plot may result from added isotopic tracers distorting the correlation from analysis of landfill samples H values will plot substantially above the GMWL from spectral interferences for which the laser instrument has failed to account giving a substantially incorrect delta value compared to that measured by IRMS or when there is little to no isotopic variation in the project samples axis scaling artifacts Delta Plot 4 7 2015 Terzer Stefan W 14438 to W 14519 GMWL of Rozanski et al 1993 shown 67H 8 20 x 5190 4 11 27 o as E T N a 46 15 14 13 12 14 10 9 8 7 6 5 4 0 0ysmow in o LIMS for Lasers 2015 5 O versus H cross plot of results To print the hard copy of a Customer Project report click on Print Report The report will print on the default printer or to an optionally selected printer or to a PDF if a PDF creator is installed 150 Report To Be Printed Project Report Default Printer Send to Default Printer
112. ing to be retained because this software was provide at no cost by the 1 Request Fi orm U S Geological Survey and the IAEA 2 Customer Information LIMS for Lasers 3 First Name Instructions Version 10 51 Oct 29 2012 4 Last Name Information in BLUE is optional if available T B Coplen 5 Submission Date 40 6 2012 Caution Sample ID must be unique no duplicates U S Geological Survey 6 INFORMATION IS REQUIRED Ship samples and Excel file to 431 National Center Y Address Line 1 Organization Name Reston VA 20192 8 Address Line 2 Attn Name of sample receiver if applicable Email tocoplen usgs gov 9 Address Line 3 Laboratory address 10 City Laboratory address 11 State or Province Laboratory address 12 Postal Code Laboratory address W a te r 13 Country Laboratory address 14 Email Phone Email address 3 a y R esources General Location Optional Project A EF A BL MEE AME d Prog an 20 Sample Information Project Title My project title 21 Counter Sample ID Country Code State Prov Code Degrees Lat DegreesLon Collection Date Time End Coll Date Time Elevation Length Unit Top Bottom Aquifer River Lake 22 Example 1 GNIP 43329 see tab below see tab below DD MMSSSS DD MMSSSS m d yy h ss 11 15 1995 18 30 114 4 ft 60 7 113 2 Milk River Danube 23 Example 2 3TT 7 88 USA Ohio 38 889722 77 008889 2 28 2012 0 00
113. ints hard copies of all of the projects appearing in the search result window Create Excel Files of Data of Selected Projects Files this creates individual Excel files for all of the projects resulting in the search window 153 Combine Data of Selected Projects and Save as a Single Excel File this combines the sequential data of the projects in the search result window into a single Excel file the Excel default name is the lowest W number e g W 1001 xls Es Find Project eS Select Project Criteria List of Selected Projects Close Name Purpose contains Save zone fe P SSS Save List of Projects as Excel File C Print Ate ate tocan contains Before date 1 Projects Ready To Report Print Reports of All 6 Selected Projects A ae Create Excel Files of Data of Selected Projects 6 Files Combine Data of Selected Projects and Save As a Single Excel File pen Selected Project Remove a project from the window below by pressing the Delete key on the keyboard does not remove the project from LIMS 2 2 2 2 2 2 Range Purpose Reported W 1 to W 2 Water test samples Reference W 3 Empty capsule for TC EA Reference W 4 CF Ref Inj sample Reference W 5toWw 30 International references Reference W 3l to w 53 Lab references 2012 07 18 Smith 3 John s Test Waters for LAS Note To delete a Project from a search result highlight it and enter the delet
114. ion from an Excel template ensures no typographic errors are made by the laboratory see Excel Submission Templates 28 Find Project Save List of Projects as Excel File Print Reports of All 5 Selected Projects Create Excel Files of Data of Selected Projects 5 Files Combine Data of Selected Projects and Save As a Single Excel File Submission LastName Purpose Location Reported 1 1 1995 Reference Reference Gas Proxy for Lasers Do not delete 9 1 2012 9 27 2012 W 1 to W 2 Test or Dummy Samples 9 27 2012 9 27 2012 Reference W 3 Wash and Conditioning Sample 9 27 2012 9 27 2012 Reference W 5to W 30 International References 9 27 2012 e vic CICI CICE VV 1 O O ab CICI CICLES JEXZPAUEMA The Projects Summary Page Searching for Projects As projects and data accumulate in the database over time L MS for Lasers 2015 includes searching capabilities for quickly locating projects and client data One can search for projects using a combination of full and partial information criteria by e Customer Last Name e Purpose contains the specified text such as Leakage e Before and or after dates e Completed projects e Project Location contains the specified text such as Texas 29 Sorting Projects Simple sorting of Project information searches can be accomplished by simply clicking on the Project column headers like Project Location Range Submission Date Sample ID Customer or d
115. ion Conc 62H 6180 ues i was sa w um wa 33 e F ues s ws 33 R P mam a was 33 e M iss 5 wss si ass T asss T 226 1mss e wss sa 433 fT 3559 T 2424 1mss 7 wss sa as T ass I 2427 1m es was sa as T 3599 T 2427 mess a wss aa ese T 3569 T 2435 1224334 1 wss 3310 JM JM 12434 2 w34 330 M W 12434 3 w34 310 NENNEN masa a wee 310 h G Fbii M 2434 amp was 310 M 7 ws A LS NUN v 12434 5 w 34 340 430 T s54 6s8 310 E T 17 6so 12634 8 wee 310 438 l 881 T 665 12434 9 w 34 310 sas T s20 T 667 12434 Means 4 362007 P 8835054 6653 004 i24335 i wasa sa JM 124335 2 wee su TMT 12435 8 waa att JM J M O 124855 4 waa sat JM MJ 3455 s wae sar az T 38 T 650 1235 6 wee sii ass T an FM ss 1285 7 wee sii aso T s5 NM es 1255 s was su as T ss T se 3455 9 wae saa ase T s02 T sea 12435 Means 352003 s1ss0a2 T esazo06 11 v 12436 1 W 1001 Iv 67H and 5 80 Ref for Additive Normalization Reference for Scale Expansion W 34 w 33 4101 11 1 1 141 lt 1 lt 4 1 1 1 41 11 T 1 1 T S a lt 1 lt 1
116. l differ from those in the 60 and 6 H Project See example 21 2 21 21 Submission LastName Range Purpose 1995 01 01 Reference W 4 Reference Gas Proxy for Lasers Do not delete 2012 09 27 Test W 1to W 2 Test or Dummy Samples 2012 09 27 Reference W 3 Wash and Conditioning Sample 2012 09 27 Reference W 5to W 30 International References 2012 09 27 Reference W 31to W 69 Lab References 2012 08 27 Reference W 70to W 108 Lab References for 170 2015 03 04 Smith W 1001 to W 1010 Johns Test Waters for LAS 52 7 3 Assign 6 Values to Laboratory Standards One will need to assign the known 6 values to the laboratory measurement standards and add a special LIMS flag to demark the Control standard 1 Onthe LIMS Main Page open Special Features 2 Click Assign Lab References To Add High Laboratory Standard 6 50 6 H and 6 0 Values 3 To add the High 670 value lab standard click Add a New Lab Reference Reference Samples List w 5 Ld Add a New Lab Reference The Table of Reference Samples contains samples that serve as m reference materials in LIMS The true delta value is assigned in Final Delta texthox Isotope Reference Information Delta 52H E Sample ID vsMOW w beds Final Delta O 4 Click the pull down menu under Isot
117. lative Water Concentration e a m gt 100 150 Cumulative Injection Number References Regular Samples Mean Mean 1 SD Mean 1 SD Import Criteria for Instrument M LGR v4 A Los Gatos Research import has been identified Isotopic data can be imported using either Conti 1 An Import With Normalization Over Sub ranges of Analyses sometimes called Bracketed Normalization LIMS will first perform an additive ee normalization on sub ranges of analyses for either or both isotopes selected LIMS commonly uses the reference water most enriched in _ Camel mE deuterium and oxygen 18 This is equivalent to adjusting b in the equation y mx b Next LIMS will normalize the scale expansion which is the m coefficient by using a second reference water which commonly is Antarctic water or a low delta value reference water A result of this normalization is that after importing analyses and opening the Normalization Equation Coefficients form the Final Delta values of these reference waters will be identical to the values found in the Table of References in LIMS 2 AStandard Import With Choices Linearity correction and or between sample memory correction can be applied to data before they are imported into analysis tables of UMS 3 AStandard Import Data are imported as is that is without linearity correction or between sample memory correction In many laboratories hydrogen and oxyge
118. le to assess and inform users if samples are OK or not and to possibly identify what the interfering contaminant s might be Neither of these spectral assessment programs are currently built in to the laser instrument operational 169 software used to generate LIMS for Lasers 2015 output files thus additional screening action is required on the part of the laser analyst In short users of laser instruments should remain vigilant to the inorganic and organic characteristics and origins of the unknown water samples that they are analysing in order to obtain correct results Generally low TDS DOC waters pose little concern for laser assays However when doubtful samples are being considered high DOC VOC salty it may be prudent to check and clean the injector more frequently or pre screen the autorun results through offline spectral software before importing data analysis output files into L MS for Lasers 2015 Samples identified by spectral screening software as being compromised may be safely ignored after they are first imported into L MS for Lasers 2015 Other courses of action are to measure or repeat suspect samples by conventional IRMS techniques if available In situations where results must be correct such as forensic science applications water samples should be analysed by isotope ratio mass spectrometry IRMS 15 2 Frequently Asked Questions Q Why is LIMS for Lasers 2015 responding slowly on our networked PCs A
119. les Using Criteria Click on Find a Sample using Criteria Here are a number or options to search for one or all samples in all Projects that meet certain search criteria using text field wildcards or Boolean criteria based on 6 values or dates For example one can quickly locate all data or samples from a specific region aquifer or formation regardless of the client provided the sought information was supplied with the project These search findings can be saved to Excel Find a Sample or a Group of Samples P Find a sample or samples in LIMS using search criteria Some Wildcards in Microsoft Access You can use pattern matching wildcards Characters Matches in string Any single character You can find all samples in a range with Use These Criteria Zero or more characters For example you can find a sample collection date between Any single digit 0 9 a range of two dates Sample Selection criteria __ _ _ ____ _ A _ Search Field Required 5180 Search C Search For Exact Entry C Search With Wildcards Values greater than or equal to Use These Criteria Iv Values less than or equal to 2 OurlabiD Sample ID Search Field Collection Date Delta 2H Delta 180 Submission Last Name W 1862 Katunguru Spring 2 74 2012 02 16 9 3 2 74 2012 05 21 Kassa W 1864 Kasota 2 77 2012 02 16 10 7 2 77 2012 05 21 Kassa W 1866 Nyamigota 2 6 2012 02 16 9 2 2 6 201
120. les W 31 through W 34 plus W 35 is the Control These pre made templates are easily Duplicated see Chapter 8 4 and 8 5 and the USGS standards thereafter edited to be replaced by in house daily use high and low calibration standards 184 ie a Oc c List i4 4 JW a TES VSMOW W B GISP MW 7 SLAP w 8 YVSMOW2 w 9 SLAP2 w 31 USGS 45 gt gt i P W 32 USGS 46 LOW STD W 33 USGS 47 W 34 USGS 48 HIGH STD w 5 VSMOW W B GISP W SLAP w 8 VSM W w 3 SLAP2 W 31 USGS 45 LT W 32 USGS 46 LOW STD W 33 USGS 47 W 34 USGS 48 HIGH STD W 35 Control Standard Delta 2H Delta 2H Delta 2H Delta 2H Delta 2H Delta 2H Delta 2H Delta 2H Delta 2H Delta 180 Delta 180 Delta 180 Delta 180 Delta 180 Delta 180 Delta 180 Delta 180 Delta 180 Delta 180 Add Delete Close In order facilitate new template design Excel Template worksheets for Los Gatos and Picarro are provided to help visually guide the implementation These spreadsheets are used for convenience in editing Vials and Tray Position numbers in manual template design operation e g Figure shown on page 62 A 10 Sample Los Gatos worksheet template is shown below LGR 10 Sample pa mim BE S e oo forfour e e e UJ Www w N NIN NININININie ieie eR I m a 8 5 iSi MIO ID GNIS obe LA C L IMS for Lasers Temiplate Name LIMS List Tray Position Port 1 Wo Jon amp 0 MN BEPSSRBUEREEBRES Postitions 1 1 to 1
121. lexibility than the CTC PAL unit The figures below demonstrate a sample tray layout where unknowns are sequentially placed at the front of the tray and the measurement standards and control standard or wash at the back of the tray This layout is more convenient than having to intersperse laboratory standard vials amongst samples and facilitates the between sample memory and drift corrections in LIMS for Lasers 2015 40 Sample Layout Tray Position Hi Lo Lo Standards 99 100 101 Lo Hi Hi Standards 92 93 94 Control Standard optional or end of run wash vial 78 amples in positions 1 to 40 YQ esa _ 180 The G 2000 autosampler software configuration corresponding to the 40 sample layout shown above figure is given below here using 7 injections per sample The primary software constraint is the 10 line sequence limitation and each of these lines must contain sequentially sampled vials Thus the Hi Low laboratory standard triplets are defined in single rows see Table A1 t amp Autosampler GUI Job Queue method Run Chg Syringe Pause End Load Queue Save Queue Tray start End Inj es P ec ras app 2 P gt pa Caral ar 3 gt fricarro we ft leas le 7 i Clear IM gt Picarro 1158 ju 5 7 rae ap Picarro B EJ 30 um EE R ae sf ub s m Pas SI ar 3 cow P gt fare e IS zip Autosampler Connected ASReadInit successful ASReadInit successful 1
122. liers and to determine a cause e g mixed up vials 7 Optionally the control standard data may be exported to Excel for offline analysis or used for annual reporting of laboratory performance and audits R w beli 3 1 2014 Save GA OC Data az Excel File 8 2 ds Lot tim 9 8 2014 09 01 2015 01 01 2015 05 03 2015 09 02 2014 09 01 2015 01 01 2015 05 03 2015 09 02 Time Time LIMS for Lasers 2015 monitors laboratory performance through the use of control standards 143 12 8 Query and Edit Sample Results and Information On the Sample Information column of the Main Page of LIMS for Lasers 2015 are additional querying features that allow the analyst to quickly find information about individual or groups of samples and analyses Find a Sample Click on Find a Sample and enter the Our Lab ID W number click Find LIMS returns the page containing that specific sample information whether it was completed or not Find a Sample y y y s 9 Our Lab ID W 2435 eH Comment Delta Value 47 81 Tio 5o Comment Delta Value 7 66 Decimal Degrees Meters Elevation Top Bottom Results of Find a Sample Sample ID 201202 Aquifer River Lake FO Conductivity FO Temperature pk Alkalinity NENNEN Other Info Collection Date 2012 02 15 End Collection Date Country tal State Province m 144 Find a Sample or Group of Samp
123. lows a simple 9 Step procedure 1 Adding samples to an instrument Analysis Template or queue 2 Creating and printing a list for sample preparation e g filling sample vials and transferring the sequence to the Los Gatos Research or Picarro data acquisition and control software via USB flash drive 3 Measuring unknown samples at least twice on a Los Gatos Research or Picarro and importing the isotopic data into L MS for Lasers 2015 4 Optionally correcting for H2O amount dependence 5 Correcting imported results for between sample memory and or instrumental drift 6 Normalizing the samples to the VSMOW SLAP scales using calibrated daily use measurement standards 7 Evaluating and accepting final results tracking the Control standard performance 8 Checking and storing the accepted results of two or more sample repeats 9 Reporting final results to the Customer in hard copy or Excel Organization Name UMS for Lasers 2015 Projects Sample Information Analyses in Progress View Projects gt TTeate Sample Li Import Data from for Instruments Instrum Find a sample gt Search For Samples Import a New Projet Using Criteria from Excel Submission Create a New Project Add Edit a Customer Special Features LE Resources IAEA Programme Routine work flow path in LIMS for Lasers 2015 58 8 2 The Importance of Analysis Templates LIMS for Lasers 2015 comes with some example analysis templates for
124. ly an H20 concentration correction algorithm for each isotope delta The purpose of the LIMS for Lasers 2015 concentration dependence correction is to help rectify effects of variable syringe injection performance for all isotope deltas It is not meant as a replacement for a good performing syringe Bad syringes should always be replaced The relative H20 6 value adjustment in LIMS for Lasers 2015 is determined by correlating the raw values of an amount varied control standard or any other standard to its measured H20 concentrations and then applying a best fit regression model e g linear quadratic If the regression model is robust e g r 0 6 the equation may be applied to all samples to normalize their raw values to a constant water vapour amount Concentration dependency corrections may result in marked improvement in 6 results for one or more isotopologues particularly if syringe performance rather variable or if the instrument is highly sensitive to H20 amount When using the provided default Picarro or Los Gatos research backend databases the pre assigned control for H20 concentration corrections is W 998 If a 6 0 amount control is required a companion 6 O project must be created typically W 999 In the case where no H20 amount control sample has been created it can be added as described in Chapter 6 The appropriate amount control sample must also be added to the Table of References as described in Chapte
125. malization applied which is often used to correct for non linear instrumental drift that may have occurred over the autorun Import with Normalization Over Sub ranges Bracketed Normalization Default This is also known as bracketed normalization This is the recommended default import option in L MS for Lasers 2015 This option uses the special layout of the default analysis template and the arrangement of standards to normalize the sample data between groups of the measurement standards The normalization equations are applied to the bracketed segments of the autorun shown in Table 1 and 2 and therefore this import option also corrects for non linear instrumental drift Adjustments for with Variation in Relative Water Concentration Dependency of instrument 6 values with relative H20 concentrations are significant for most laser instruments Typically H2O amount variations in the laser cavity arise from syringe underperformance or leaks or may be purposely manipulated by the user The dependency on H20 amount can be corrected by using linear or non linear fitting methods Appendix 3 shows how implementing a concentration correction algorithm can substantially improve the accuracy and precision of 6 results for all isotopic species Between Sample Memory Correction default correct for memory This option makes use of the L MS for Lasers 2015 default template layout to determine the between sample memory correction over the course of
126. ment System LIMS for Los Gatos Research off axis OA ICOS and Picarro cavity ring down CRDS laser absorption spectrometers used for the purposes of 6 H and 6 O and optionally 6 0 assays of liquid water samples in hydrological and environmental studies L MS for Lasers 2015 provides a convenient Windows environment to manage clients projects samples and instrumental data L MS for Lasers 2015 can be used on an Apple Mac using Boot Camp or a Windows virtual PC Features e Full client project and sample management and reporting system e Laser sample analysis and laboratory standard calibration templates e Syringe performance pre screening and outlier identification e Corrections for Variations in 6 with relative water concentrations e Automated between sample memory corrections e Automated instrumental drift correction e Automated normalization of data to the VSMOW SLAP scales e Track My Lab QA QC for instrument and laboratory assessment e Excel client sample submission templates Benefits e Increased laboratory productivity by eliminating complex spreadsheets e Improved long term performance through standardized approaches e Reduction of laboratory errors in client and data management e Fully compatible with L MS for Light Stable Isotopes v 9x LIMS for Lasers 2015 is built upon the MS Access code of LIMS for Light Stable Isotopes 4l and can be used concurrently on an existing v 9 backend database LIMS for Light Stable Isotopes is a matur
127. ments Reporting Text Options Backend Database Water Resources IAEA Programme The user interface of LIMS for Lasers 2015 Sample Information Analyses in Progress e View projects print reports and e Create sample lists that can be e Import data output files from Los export data to Excel imported into Los Gatos Gatos Research or Picarro e Inspect sample queue Research or Picarro instruments instruments e Import project data from Excel e Search view print and edit e Automatically determine and forms specific client samples apply memory correction and e Create new projects drift corrections e Add new clients e Normalize results to VSMOW SLAP scale e Evaluate results and track laboratory QA QC e Store final accepted results for e Add edit laser instruments e Add edit laboratory standards e Backup and customize the database e Design analysis templates reporting 2 2 Routine Sample Autorun Checklist After LIMS for Lasers 2015 is installed this procedural checklist provides a quick overview of routine isotopic analysis of water samples A Projects Column 1 Ensure the Customer is added to LIMS for Lasers 2015 Chp 6 1 2 Create a new Project for the customer either manually entering sample information or importing from an Excel file Chp 6 3 6 4 3 Add customer Project s samples to a laser Analysis Template queue Chp 8 8 8 9 B Sample Information Column 4 Create an autorun Sample List for t
128. ments 2014 present instrument software the instrument prefix can easily be set in the instrument Settings panel see the Los Gatos Research LWIA TIWA user manual and picture on next page Is the LIMS Button greyed on your Los Gatos Instrument Some early LIWA TIWA 35 45EP instruments shipped without LIMS capability implemented Instead you will see a greyed out LIMS button on the main screen To correct this a firmware update is required from Los Gatos Research that can be installed by the user in about 10 15 minutes The required firmware build should be checked on the instrument under the Setup Time Files tab At the lower right check the software build date see Figure next page It should be o Build Aug 6 2015 or later for dual isotope instruments o Build Dec 16 2014 or later for triple isotope instruments Required Date Format for LIMS Output The required date format for LIMS is Absolute Local ISO 8601 Check under Setup Time Files tab to change to correct setting see figure on next page 22 ie Europe Vienna New Local Trme Zone urrent local time Mon Mar 9 09 35 12 2015 ntpa is not running SERES O ubuntu pool ntp org Set clock manually 1 ubuntu pool ntp org 1 Jan 2000 00 00 00 2 ubuntu pool ntp org New Local lime 3 ubuntu pool ntp org gt Jutput interval minutes Ganges LVVIAZLIVIS State instrument 1D Next Analysis Number nao Changes Changing the Los Gatos Researc
129. meters and assigned values that were used at the time of processing Prior data normalizations are protected 55 7 4 Keep Track of Laboratory Standards over Time A record of all changes made to primary and laboratory standard values are recorded in LIMS for Lasers 2015 for long term laboratory audit tracking purposes 1 Click Special Features 2 Click Lab Ref History button 3 An Excel file of the full history of reference 6 values assigned to calibration and primary standards is created and saved Special Features Close Instrument Templates Next Sample Number Assign Lab References Lab Ref History lt Instruments Reporting Text LIMS a You can create an Excel worksheet of all delta values of reference waters since LIMS for Lasers 2015 version 10 069 or later was used to open the current backend database gt M Music gt UE Pictures gt Videos gt Ey Drive C gt cx Disk D P Save as type Excel File xlsx Hide Folders 56 8 Sample Analysis Templates 8 1 Sample Analysis in LIMS for Lasers 2015 Now that we have learned to add Customers and their Project and Samples into L MS for Lasers 2015 we can begin to prepare and analyse water samples on a laser instrument through the use of instrument Analysis Templates also referred to as sample lists queues or sequence run files Analysing samples using LIMS for Lasers 2015 fol
130. mmost panel on three different instruments prefix L N D We see in the middle right panel that of 18 samples in the project 15 were run 3x and 3 were run 5x Sample and Analysis Survey of Unreported Projects Last name Submission Purpose Our Lab ID Range AOA br LA Jie V L2Z25UbD tO W L2Z52 on z S 5 ERES 5 02_3235 W 12776 to W 12812 37 GNIP_Ascensio 2015 02 03 Terzer IHL Snow 201 2015 02 17 Terzer GNIR_CentAfrRep_3245 W 13021 to W 13053 33 2015 02 19 Terzer GNIP_Braz_UNESP_3246 W 13054 to W 13063 10 2015 02 27 Terzer GNIP Norway 3248 W 13124 to W 13135 12 2015 03 02 Terzer GNIP Honduras 3249 W 13184 to W 13209 26 2015 03 03 Terzer IHL Isovip 2015 03 3251 W 13244 to W 13252 9 E 2n15 n3 n3 Ter7er IHI amp new 20n15 na3 325n MW 12321n to W 12742 24 E p Samples in this project Select a Sample to View its Analyses str_FieldiD Analyses a W 12506 Ascension Is 201404 3 Ascension Is 201405 Ascension Is 201406 amp ofruns for amp ofsamples 3 3 15 5 Ascension Is 201409 5 W 12512 Ascension Is 201410 3 W 12513 Ascension Is 201411 3 W 12514 Ascension Is 201412 3 W 12515 Traveller s Hill 201404 3 Record 14 1 of 2 gt Pl 12509 OurLabID Analysis Instrument Completed 12509 D 16930 DeltaPlus 2015 02 18 D 16978 DeltaPlus 2015 02 19 W 12509 L 17831 LGR V2 2015 01 26 W 12509 N 17687 LGR V3 2015 01 23 W 12509 N 17739 LG
131. mple 1 Sample 2 Sample 3 Sample 4 Sample 5 Control Low Standard High Standard High Standard Sample 6 Sample 7 Sample 8 Sample 9 Sample 10 Control High Standard Low Standard Low Standard Sample 11 Sample 12 Sample 13 Sample 14 Sample 15 Control Low Standard High Standard Vial Pos 3 28 3 28 3 10 3 1 3 2 1 1 1 2 1 3 1 4 1 5 3 19 3 3 3 11 3 12 1 6 1 7 1 8 1 9 1 10 3 20 3 10 3 1 3 2 1 11 1 12 1 13 1 14 1 15 3 21 3 3 3 11 Run Order 1 O CON DW BW N WWNHNNNNNNNNNPRPPRPRP PRP RP PB PFOWWON DUBRWNHR OW WON DU BWNP OO LIMS for Lasers 2015 Function Instrument Conditioning Instrument Conditioning Between Sample Memory Between Sample Memory Bracketed Normalization Unknown Sample Unknown Sample Unknown Sample Unknown Sample Unknown Sample QA QC Between Sample Memory Between Sample Memory Bracketed Normalization Unknown Sample Unknown Sample Unknown Sample Unknown Sample Unknown Sample QA QC Between Sample Memory Between Sample Memory Bracketed Normalization Unknown Sample Unknown Sample Unknown Sample Unknown Sample Unknown Sample QA QC Between Sample Memory Between Sample Memory 63 High 6 Standard Sample 16 Sample 17 Sample 18 Sample 19 Sample 20 Control High 6 Standard Low 6 Standard Low 6 Standard Sample 21 Sample 22 Sample 23 Sample 24 Sample 25 Control Low 6 Standard High 6 Standard High 6 Standard Sample 26 Sample 27
132. mple Results about sample Analyses to Projects Add Stored samples Back Track My Lab QA QC Water Resources IAEA Programme LIMS for Lasers 2015 Main Page Registering for Support It is a good idea to register LIMS for Lasers 2015 by emailing tbcoplen usgs gov Registration ensures you will be informed about important updates Similarly user suggestions for improvements to L MS for Lasers 2015 reporting bugs and suggested improvements to the user manual are always appreciated Note For European and other international users the Windows Regional Settings in the computer Control Panel may have either a point or a comma as the decimal separator LIMS for Lasers 2015 will function properly with either choice figures in this document were created with a point as the decimal separator 12 4 2 Upgrading from LIMS for Lasers 2012 For laboratories already using the original LIMS for Lasers e g lt v 10 69 from 2012 follow the Same procedure for a new laboratory above but use the existing LIMS for Lasers backend database file A LIMS for Lasers 2015 restart will be required The existing backend database remains unaffected 4 3 Set up LIMS for Lasers 2015 in a v 9 Laboratory For laboratories using LIMS for Light Stable Isotopes v 9 follow the same procedure for a new laboratory above but use the existing LIMS v 9 backend directory Some warnings do not apply In step 11 select the existing LIMS v 9 backend databas
133. mples named W 7 W 8 and W 9 one would have W 7 W 8 and W 9 on one template AND W 7 W 8 and W 9 on the next template o Number of consecutive sample repeats For example for an entry of 2 for 3 samples named W 7 W 8 and W 9 one would have samples W 7 W 7 W 8 W 8 W 9 and W 9 all on one template Add At 4 Front of the queue End of the queue default position One click removal of Smith samples from the Picarro analysis queue within the Project Manual Removal and Editing of Queued Samples in a Template A second way to edit an analysis template queue is to do it manually 1 On Main page Click on Create Sample List for Instruments 85 2 From List Instrument Templates and choose the instrument Template queue that you wish to edit There are a number of manual editing options available e Use the Find button to locate a specific sample in the queue useful for long queues e Move sample s up or down in sequence priority by highlighting and moving them using the blue arrow keys e Delete asample or group of samples by highlighting the sample cells and click Delete e Manually edit the number of repeats for one or more samples set flag from O to gt 1 e Clear the entire queue completely by clicking top left handle to highlight all as in Excel and then clicking the Delete key on the keyboard e Make a backup of a queue and retrieve it precaution in case of editin
134. n Picarro 20 Sample the sample queue opens Click on Create Sample List for Instrument a dialog box confirms Smith s 10 samples are to be added to the current queue twice Click OK 4 delet refix Repeats AE Repeats gt i ge m m a ES E m 91 Picarro 20 Sample Right mouse button information available for all columns Vial Pos Prefis Sample ae ae re 101 Sur det 1 02 1 03 1 04 1 05 1 06 1 07 1 08 1 09 1 10 1 11 1 12 1 13 1 14 1 15 1 16 1 17 1 18 1 19 1 20 1 21 1 22 1 23 1 24 1 25 1 26 1 27 1 28 1 29 1 30 1 31 1 32 Record H 1 of 327 Pl ob In the queue above Smith s project W 1001 to W 1010 is setup to be run twice in sequence of repeats 2 5 The run sequence containing the local measurement standards and control standards assigned in the template and Smith s samples opens above figure 6 Click Save and Print Instrument Sample List 7 AWindows dialog box opens asking where to save the sample sequence list file This is the CSV file that will be transferred to the Picarro instrument and it should be saved to a USB flash drive or to a network location where the Picarro Coordinator data acquisition software can load the file 92 8 Click Select to save the file to the desired location e g USB flash drive for transfer to instrument Note the saved file is in CSV format whose file name is a co
135. n and this is instrument specific 6 H repeats that repeat within 1 0 o of each other are generally considered acceptable for hydrological studies For 6 O repeats that lie within 0 2 o of each other are generally considered acceptable This assessment however remains for each laboratory to decide on its own and thereby becomes the bar upon which the laboratory sets its own performance standards see also Track My Laboratory QA QC in Chapter 12 7 for obtaining long term performance metrics Important If a sample has been run three or more times and there is a clear outlier in Evaluate Analyses in Progress is where that outlier must be manually Ignored In the bottom window check the IG ignore boxes for that outlier sample e g all instances having the same analysis number It will disappear from the Multiple Peak Summary window and these bad results will not be used in calculating the mean reported final result for that sample Caution If you do not ignore bad results they will be included in the final reported mean values Because LIMS for Lasers 2015 assigns a new injection number during importing to all 6 O analyses that are 70 plus the injection number of each equivalent 6 H analysis when evaluating 5 O results user will observe something similar to the following in which injection numbers from 71 and up are seen for 6 O results 136 Evaluate Analyses in Progress Our Lab ID Range Sample Information Pr
136. n accurate determinations of between sample memory optionally quantify instrumental drift and to apply bracketed standard and sample data normalization These example L MS for Lasers 2015 analysis templates are illustrated in table format and sequential sample vial analysis layout for both Los Gatos Research and Picarro instruments followed by individual sections on setting up and using analysis templates for each instrument Notably users are free to design their own analyses templates and these examples serve as a suggestion to get started Several 10 20 and 30 sample Excel template designs for Picarro or Los Gatos research are found in the Appendices and on the Web site and are included in new instrument backend downloads 62 Table 1 Example 30 sample Analysis Template for Los Gatos Research Instruments Unknown samples are arranged sequentially in positions 1 30 of Tray 1 front tray in the CombiPAL auto sampler Laboratory standards Control standards and conditioning samples are arranged in Tray 3 rear tray each in their own row The recommended analysis procedure is 9 injections per sample ignoring the first 4 This template contains 61 rows of 9 injections each which total 549 individual injections Run Order is the sequence order in which samples are analysed Injection amount is controlled in the Los Gatos instrument software Sample Deionized Water Deionized Water High Standard Low Standard Low Standard Sa
137. n isotopic data are imported with the Import With Normalization Over Sub ranges Bracketed Normalization because their baselines commonly drift randomly for unexplained reasons Carry over is a known problem of many of the syringes used for transferring the small amounts of water analyzed by this laser based system LIMS is able to compute the average between sample memory from analyses of the same sample loaded into two sequentially analyzed vials 52H Data 5180 Data There are 15 samples in the import file without Import Type Import Type companion delta oxygen 17 and delta oxygen 18 Import With Normalization Over Sub ranges Import With Normalization Over Sub ranges samples The first few are Bracketed Normalization Bracketed Normalization A Standard Import With Choice of Corrections Standard Import With Choice of Corrections W 33 Standard Import Import Data As Shown Standard Import Import Data As Shown W 34 W 35 W 998 Adjustment for Variation in Delta with Adjustment for Variation in Delta with Variation in Relative Water Concentration Variation in Relative Water Concentration To import delta oxygen 17 analyses you will need C Correct For Change in amp with Rel H20 Conc C Correct For Change in amp with Rel H20 Conc to create companion delta oxygen 17 and delta oxygen 18 samples for these samples Do Not Correct f Do Not Correct is j j Click View Pr
138. nalysed once be stored Overriding this feature is generally not recommended but may be used for testing purposes or in case there was insufficient sample water for a duplicate analysis 140 12 6 Add Stored Results Back to In Progress There may be occasions when stored data need to be placed back In Progress again This could be for a few reasons e Mistaken storage of singly run samples e Incorrect vials were used and one needs to ignore some of the data e One has re evaluated the correction factors and the stored delta values need to reflect these re evaluations Adding samples back to In Progress allows the analyst to re process data correct or ignore errors or remove faulty data from the client s project Note that if a sample was already stored and is re analyzed LIMS for Lasers 2015 automatically loads that sample back to In Progress To manually add stored results back to In Progress 1 On the main page click Add Stored Samples Back to In Progress 2 Choose the isotope delta 6 H or 6 O and then enter the Our Lab ID numbers in the From and To boxes repeat for the second isotope delta as needed 3 Click Add the samples are now In Progress until they are re stored Add Stored Samples Back to In Progress Once samples have been stored they are removed from the Table of samples in Add Progress and one cannot edit them unless they are added to the Table of Samples in Progress again T
139. ncatenation of instrument prefix For P Picarro and the date This file naming convention helps keep track of Picarro sample lists as they accumulate over time Alternately the run file may be renamed to something more descriptive like Smith Samples csv Fo O A Save As woke A e Wassenaari Desktop o ch Deskic p m Organize New folder e 17 A Microsoft Access EL For P 0723 143825 csv 2012 07 2314 38 Microsoft WW Favorites RE Desktop N Je Downloads 4 Recent Places 3 Libraries Documents 2 Music im Pictures Bl Videos Computer amp Local Disk C E Homedrive H E2 lims naal f1 0 File name For P 0723 143825 csv Save as type All file V wA H Hide Folder Tools gt Comcel Description Picarro 20 Sample Instrument Picarro L2140i Right mouse button information 9 A Printer dialog box opens asking where to print the sample run list e g the default Windows printer A one page summary of the sample list sequence is printed sumdd mra Gilman 10 After printing the queue reopens and we see the sample Find 4 4 Delete repeats were decremented from 2 to 0 right This indicates Prefix Sample Repeats that all samples have been run 11 The printed list of samples to be analysed next page reveals the vial position and the Our Lab ID of the measurement standards control standa
140. ndards 129 to normalize sample H and O isotopic data to the VSMOW and SLAP scales Next we can evaluate the results as outlined in Chapter 12 3 EE Correction Factor List Q Picarro 21 301 for De R ange 0 1 022 to 0 1 085 009 jt Q0000 i Apply Normalization gt Right mouse button info available for Our Lab ID SN tiri pa ARA AS EA IA tee aaa a om P ee ee ha NECESA A E A UN AN Lo A Y Fully normalized Picarro analyses have been identified You only need to apply the proposed normalization equation coefficients by clicking on button with the right arrow i Ei e IS A M RE Record 4 1 of 108 M OM To avoid confusion normalize 650 and H results from each autorun before importing data from the next run This avoids combining datasets from different autoruns LIMS for Lasers 2015 assigns a new injection number during importing to all 6 0 analyses The new injection number is equal to the sum of the 6 H injection number and 70 When normalizing 6 O results user will observe something similar to the following in which injection numbers from 71 and up are seen for 6 0 results 130 Ee 9 Choose Instrument and Isotope Delta M LGR v4 for 5170 m Right mouse button information available 11970 to to i2470 Print Close for columns with blue column headings Analyses from 11970 MES t Analysis Inj Date Time Our Lab
141. ndards are arranged between reference groupings The recommended analysis procedure is 9 injections per sample ignoring the first 4 injections List is the order which samples are run Sample Vial Pos List LIMS for Lasers 2015 Function VSMOW VSMOW2 1 01 1 Between Sample Memory SLAP SLAP2 1 02 2 Between Sample Memory SLAP SLAP2 1 03 3 VSMOW SLAP Normalization Lab Std High 1 04 4 Sample Lab Std High 1 05 5 Sample Lab Std High 1 06 6 Sample Lab Std High 1 07 7 Sample Lab Std High 1 08 8 Sample SLAP SLAP2 1 09 9 Between Sample Memory VSMOW VSMOW2 1 10 10 Between Sample Memory VSMOW VSMOW2 1 11 11 VSMOW SLAP Normalization Lab Std High 1 12 12 Sample Lab Std High 1 13 13 Sample Lab Std High 1 14 14 Sample Lab Std High 1 15 15 Sample Lab Std High 1 16 16 Sample VSMOW VSMOW2 1 17 17 Between Sample Memory SLAP SLAP2 1 18 18 Between Sample Memory SLAP SLAP2 1 19 19 VSMOW SLAP Normalization Lab Std Low 6 1 20 20 Sample Lab Std Low 6 1 21 21 Sample Lab Std Low 6 1 22 22 Sample Lab Std Low 6 1 23 23 Sample Lab Std Low 6 1 24 24 Sample SLAP SLAP2 1 25 25 Between Sample Memory VSMOW VSMOW2 1 26 26 Between Sample Memory VSMOW VSMOW2 1 27 27 VSMOW SLAP Normalization Lab Std Low 6 1 28 28 Sample Lab Std Low 6 1 29 29 Sample Lab Std Low 6 1 30 30 Sample Lab Std Low 6 1 31 31 Sample Lab Std Low 6 1 32 32 Sample VSMOW VSMOW2 1 33 33 Between Sample Memory SLAP SLAP2 1 34 34 Bet
142. nitor its results The 6 value of the control does not matter although Controls with 6 H and 6 O values between the High and Low 50 measurement standards are preferred The sole purpose of a Control s will be to track laboratory QA QC over time First one needs to edit and rename three pre assigned placeholders for the lab standards and the control to their actual names or Sample IDs as listed above Here we assign the name High Standard to W 31 Low Standard to W 32 and Control to W 33 228 2 2 d om On the LIMS Main Page Click View Projects Double on click the Project called Lab References Click on Show Project Samples The first sample in the Project opens in this case it happens to be W 31 Click the Edit button The Sample ID field is now highlighted delete and replace My laboratory ref 1 with High Standard but leave all other entries alone do not enter 6 values Click Save Click again on the List All Samples button and choose W 32 from the pull down menu Click Edit delete and replace My laboratory ref 2 with Low Standard Click Save Click again on the List All Samples button and choose W 33 from the pull down menu Click Edit delete and replace My laboratory ref 3 with Control Click Save The renaming of these three samples is completed Click Close to return to the LIMS Main Page Select Project Criteria List of Selected
143. nna Austria T B Coplen Email isotope hydn Iabiiaea o Resources WS Geological Survey 451 Ristional Center Programme Peston VA 20192 11 Email Instructions Email thecapleniBusgs pav 12 Telephone Information in RED is required 13 Fax Information in BLUE is optional if available 14 complete and Save As M ytamples xls 15 Submission Date 2012 07 31 mg vrvevienE Caution Sample ID must be unique no duplicates 16 Project Name Do EA 17 Location ig eoietiocation 18 Account ae regional 13 Sample Information 20 Counter Sample ID Country Code State Prov Code Degrees Lat Degrees Lon Collection Date Time End Coll Date Time avati La 1 pito Aquifer Rire 21 Example 1 amp GNIP 41129 soe tab below see tab below DO M MESES DD MMSSSS Yr M D 1595 11 15 18 30 Milk River Dar 22 Example 2 USA A 3T m 18 5 34 5 Nubian Lake Hx a mj FF Ru E i m ue int M 4 amp M Headings Cnuntrigs Ready Z3 An Alternative Excel water sample submission file shown below may be preferred by some laboratories and is available from http isotopes usgs gov research topics lims html Both incorporate conditional formatting in order to identify samples that have the same Sample ID see the two magenta cells in the spreadsheet below 40 ES LIMS for Lasers Alternative Sample Submission Example xlsx ca 2 Pa A C D E F G H I J K L M N ij My laboratory Analysis The follow
144. normally blank 37 m 18 5 34 5 Nubian Lake Huron 24 Examplesamplez usa so sssss22 77 008889 25 ExampleSample2 usa 39 38 889722 77008889 26 8 ExampleSample3 usa ss 38889722 77008889 27 hi ExampleSamplea Jusa Ohio 38889722 77008889 28 Example Sample 5 USA 29 Example Sample 6 Costa Rica Cartago 30 f Example Sample 6 DEPT A a a 32 E A96 33 NNNM a ec To Import and Create a New Project using an Excel Template 1 Onthe LIMS Main Page click on Import a New Project from Excel Submission under the Projects heading 2 In the Windows filename dialog box locate and double click on the Excel sample submission file to be imported 3 A confirmation dialog will indicate how many samples and the range of new W Laboratory ID numbers to be assigned to the samples Click OK 4 A dialog will ask if you also want to create a companion 0 project Y N as needed 5 The New Project will appear under View Projects Reminder Before importing be sure the Customer has been added and their first and last names match exactly to the one present in the Excel file see Chapter 6 1 6 6 Customize Excel Submission Forms A useful way to import new Projects is to deploy customized Excel sample submission templates to your customers Editable unprotected L MS for Lasers Excel Submission templates are available from the links in Chapter 3 1 These Excel files may be
145. ntrations recorded in the laser cavity Some clients want to receive the isotope delta values of isotopic reference waters analysed with their samples in an Excel file Checking the Export with references box provides this capability 138 12 5 Store Final Results to Projects The action of storing final results to a Project means that the laboratory analyst has normalized all of the samples and controls that were measured and the analyst is satisfied that their results are acceptable within specified laboratory evaluation criteria The final step is to Store the final results of the samples into the customer Project for reporting purposes E Organization Name LIMS for Lasers 2015 Projects Sample Information Analyses in Progress ojects Create Sample d Import Data from for dieci Instruments Survey of FindaSample Apply Data Normalization Apply Data Normalization Unr rted Projects LLL Le Search For samples Evaluate Import a New Project Using Criteria Samples in Progress from Excel Submission A Print Export Print Export Create a New Project Sample Range Samples in Progress Add Edit a Customer View Edit Information Store Sample Results about sample Analyses to Projects Add Stored Samples Back to In Progress Track My Lab QA QC Water Resources IAEA Programme 1 Click on the Store Sample Results to Projects button 2 Inthe window that opens chose the isotope delt
146. o add samples to the Table of Samples In Progress select a range of samples by entering the Qur Lab IDs which consists of a letter prefix and the integer Close sample numbers and select the isotope Isotope Delta Our Lab ID 52H P ane Set any previously stored values in Table of Samples to null R gt Reference Ww gt Water From 11001 to 11010 141 Note If you mistakenly Store data the Project will retain the incorrect data that was stored If you want remove these incorrect data check the box Set previously stored values in the Table of Samples to null then click Add This will remove any stored results for the selected W numbers 12 7 Track My Lab QA QC The second key part of data evaluation is to examine the results of Controls included in each autorun and confirm that they agree with the known value or results of those control standards over time usually before storing final results This QA QC evaluation is made through the systematic use and monitoring of laboratory Control standards as recommended in the default LIMS for Lasers 2015 analysis templates Following each autorun L MS for Lasers 2015 allows evaluating the performance of the Control standard Over time this assessment provides the operator with realistic metrics of long term instrumental precision and this strategy allows one to quickly spot unexpected changes in the control outcomes Gradual or abrupt changes in the
147. obtained from the Windows Control Panel Regional Settings on your PC 13 4 Export to ASCII file with Reporting Text On the Project page clicking on Export Results shows the option to export to ASCII text While few Clients prefer ASCII over an Excel file it allows for an additional option the inclusion of frequently requested additional textual analysis and laboratory information This additional information may be about methods used or the statistics of the laboratory 155 In LIMS main page click on Special Features Open Reporting Text Click on Add Enter descriptive information this information will appear as a header on the ASCII exported project data DS per Reporting Text ns 14 lt een ES gt gt Reporting of Stable Hydrogen and Oxygen Isotope Ratios Oxygen and hydrogen isotopic results are reported in per mil relative to VSMOW Vienne Standard Mean Ocean Water and normalized Coplen 1994 on scales such that the oxygen and ydrogen isotopic values of SLAP Standard Light Antarctic Precipitation are 55 5 per mil and 428 per mil respectively Oxygen isotopic results of a sample Z can be expressed relative to VPDB Vienne Peedee belemnite using the equation Delta O 18 of Z relative to VPDB 0 97001 times delta O 18 of Z relative to VSMOW 29 99 The 2 sigma uncertainties of oxygen and hydrogen isotopic results are 0 2 per mil and 2 per mil respectively unless other
148. of Daily use Measurement Standards occccconccnnconoccnncnanonnnnnncnnnonaronnnnos 159 14 3 Analysis Templates for Calibrating Local Measurement Standards 160 14 4 Calibration Template Procedures ccccsseccccsssccccesececeeseceeeeescceseusecessuneceesenseeetas 163 15 Spectral Contamination FAQ Log Files ooooooccccnnnnnncccnnnnonanocnnnnonanccnnnnonanonos 168 15 1 Salt Buildup amp Spectral Contaminati0N cccooocccnccnccnnnnnncnnnnnanonnnnanonnnnnaconcnnaronnnnns 169 15 2 Frequently Asked QUestiONs 22 5 deve Ee RE Cre dote c Pe I ee rris veoevid es dv oe red i bes diesiens 170 16 LIMS Data Viewer Utility e Doer oce ber tase dover td ea o Pda eria a aa d dod Rega 172 16 1 HMS Data VIE Wer ass aaa 173 16 2 Computer and Software Requirements esses 173 TG SIS EAN a o ees adeo ouai atate ven vss bu O ULM caes Seo 174 References CIted i ss 177 User Guide Charge Notes a v du bua ia 179 Appendix 1 Template for Picarro G2000 Series AutosaMpler ccccocccccnncnnonocnnonaccnonacnnnnccnonarinonaso 180 Appendix 2 User Backend Database Templates ccccccseccccsssccecessececeeeceeeeeseceseeeceteugeceeeeneeeeeas 184 Appendix 3 Correct for Variations in 6 with Relative Water Concentration eese 186 1 Introduction to LIMS for Lasers 2015 1 1 What is LIMS for Lasers 2015 LIMS for Lasers 2015 is a Laboratory Information Manage
149. oject on the Main Menu Select the Between Sample Memory Correction Between Sample Memory Correction project with the specified sample s v Lm em ie r r en San oar E Correct For Between Sample Memory Correct For Between Sample Memory Click the Create Companion delta oxygen 17 and C Do Not Correct For Between Sample Memory C Do Not Correct For Between Sample Memory delta oxygen 18 Project button 7 On the import criteria screen accept the default options and then click Continue The import options available are fully described in Chapter 11 and a discussion of correcting for 118 variations in 6 values with variations in relative water concentrations appears in Appendix 3 Accept default settings for now In the example above since 6 O companion samples have never been created they are identified in a pane shown as a separate color 8 A summary of all measured SH and 6 O data and relative H20 yields appear with column headings of analysis number injection number Pk Our Lab ID vial position and analysis data Statistics based on non ignored injections for each sample are also shown LIMS for Lasers 2015 ignored the first 4 injections per sample as specified in the LIMS Instrument settings for this instrument Import Criteria for Instrument M LGR v4 Ignore relative water concentrations and delta valies as appropriate Ignore multiple peaks with right mouse button Posit
150. oose P for Picarro The Sample for Unfilled Positions defaults to W 1 a dummy sample This dummy is used in the case for example where only 10 samples are added to a 20 position template This field cannot be left blank OB IE x Design Templates List Instrument Templates I4 4 Pitarrn t Create a New Template Delete Edit Close Edit Vial amp Tray Positions Duplicate this Template General Information Last Edit 5 27 2014 2 50 00 PM Name Pica rro Description Pica rro 20 Sample Instrument P gt Picarro 1107i Sample Information Printing Sample for Unfilled Positions W 1 me Print sample list 3 Print sample list and multi sheet template 73 8 Click Save 9 Once saved the template Name cannot be edited only the description and lower fields can be edited The template may be deleted or edited if a mistake was made as shown below Editing a Picarro Sample Analysis Templates using Pages The sequence of analysis for measurement standards control standards and the client samples can be set up by clicking the Edit Vial and Tray Positions button A blank page for 12 samples will appear Click Edit to complete completed example below reflects lines 1 12 in Table 2 r 1 Picarro 20 Sample Add Page Delete Page Vial Vial Pos 11 01 Run Order n J Sample Fixed Ref W 31 Vial Pos 1 04 Run Order 4 Sample Fixed Ref Vial Pos 1 07 Run O
151. ope Delta choose 50 5 n Our Lab ID field enter W 31 High Standard should appear in the Sample ID field 6 In the Final Delta field enter its assigned value here 0 07 o for 50 as listed on page 49 7 Click Save 53 Reference Samples lw 31 The Table of Reference Samples contains samples that serve as isotopic refereng materials in LIMS The true delta value is assigned in the Final Delta Reference Information Our Lab ID w e s Sample ID High Standard Final Delta 0 07 o 8 Next to add the known or assigned 6 H value click on Add a New Lab Reference 9 Click the pull down menu under Isotope Delta and choose 6 H 10 In the Our Lab ID field enter W 31 High Standard will appear in the Sample ID field 11 In the Final Delta field enter its assigned value here 4 1 o for the 6 H that is listed above 12 Click Save 13 To add the known or assigned 67 0 value click on Add a New Lab Reference 14 Click the pull down menu under Isotope Delta and choose 8 0 15 In the Our Lab ID field enter W 70 High Standard will appear in the Sample ID field 16 In the Final Delta field enter its assigned value here 0 2 o for 6 O that is listed above To Add Low Laboratory Standard 6750 H and 6 O Values 17 To add the Low Standard repeat steps 3 to 12 above instead use W 32 Low Standard with
152. opriate data output file from the USB flash drive or the network location Note Checking the Replace Existing Analyses box will overwrite the previous import of this same data file provided that data was not normalized or stored This is useful if you wish to import the same data several times and examine the effects of different import options described in Chapter 11 1 or to correct a mistake This setting is checked by default 97 Organization Name UMS for Lasers 2015 ES Water he Resources IAEA Programme A screen appears showing the injection amounts over the course of the analysis run If the injection amounts vary widely then the syringe is likely faulty This preview is critical to ensure that water injections are consistent throughout the autorun In the example shown it is clear the syringe was not performing well at the beginning of the autorun LIMS for Lasers divides the measured Picarro concentration by 10 000 to determine the relative H20 concentration 98 Of Regular Samples Excluding Reference Waters References Regular Samples Mean Mean 1 SD Mean 1 SD 4 If no import warnings occur Chapter 11 the following screen appears 99 On this import screen accept the default options and click Continue The various import options available are described in Chapter 11 1 and a discussion of correcting for variations in 6 values wit
153. oratory standards W 40 and W 41 using VSMOW2 and SLAP2 reference waters From the template pull down menu pick the Lab Std Cal VEMOWZ2 SLAP2 analysis template 5 n the From and To boxes enter 40 and 41 respectively 6 Setthe number of non consecutive repeats to 1 each will be run once 7 Setthe number of consecutive repeats to 10 each is measured 10 times as in Table 4 8 Click Add then Close 9 Onthe LIMS for Lasers 2015 Main Page Click Create Sample List for Instruments 10 From the pull down menu choose the VSMOW2 SLAP2 Analysis Template 11 On the window that opens we see W 40 and W 41 are queued to be run 10 times each 12 Create the Sample List and save it to the Picarro see Chapter 9 13 Measure the samples and primary standards on the Picarro instrument Chapter 9 Their values should be set to 999 96o if they exist in the Table of References Chapter 7 3 Normalize evaluate and store the final results as described in Chapter 12 166 14 Once completed and you are satisfied that your new local measurement standards have been sufficiently characterized you may assign their 6 values in the Table of References Chapter 7 3 15 Create new measurement templates using your new laboratory standards Chapter 8 y MECE dc la DT Jc SKUD JEU EA whos dS Soba y Record I4 4 10f35 gt Di be Proposed laboratory measurement standards to be analysed against VsMOW2 W 8 and SLAP2 W 9 on a P
154. ords 12 At the end of the import L MS verifies the data has been imported Click OK 13 Normalization evaluation and storing final data is outlined in Chapter 12 120 11 Data Import Options and Errors 11 1 Data Import Options Explained There are several import options available in LIMS for Lasers 2015 These options are described in detail below The user may select different data import options for importing 6 H 6 0 and 5 0 if present data Import Criteria for Instrument M LGR v4 A Los Gatos Research import has been identified Isotopic data can be imported using either A 1 An Import With Normalization Over Sub ranges of Analyses sometimes called Bracketed Normalization LIMS will first perform an additive ae normalization on sub ranges of analyses for either or both isotopes selected LIMS commonly uses the reference water most enriched in _ Camel dti deuterium and oxygen 18 This is equivalent to adjusting b in the equation y zmx b Next UMS will normalize the scale expansion which is the m coefficient by using a second reference water which commonly is Antarctic water ar a low delta value reference water A result of this normalization is that after importing analyses and opening the Normalization Equation Coefficients form the Final Delta values of these reference waters will be identical to the values found in the Table of References in LIMS 2 AStandard Import With Choices Line
155. ork or PC e An Example Client Sample submission Excel spreadsheet or an Alternative sample submission Excel workbook available only from the USGS Web site LIMS for Lasers 2015 software is composed of 3 components e The LIMS for Lasers 2015 v10 07 or later frontend user interface e ALIMS for Lasers 2015 backend database e An Excel client sample submission template The latest software can be downloaded cost free from the IAEA or USGS Web sites http www naweb iaea org napc ih IHS resources sampling html lims http isotopes usgs gov research topics lims html Optional e Anetwork connection to the laser instrument s e A backup disk network or external storage location Security Settings LIMS for Lasers 2015 requires Trusted Locations in Microsoft Access You may require administrator rights to change these settings Enable MS Access to run all macros under Trust Center Trust Center Settings Macro Settings Enable all macros Setting up Trusted Locations For example assume C LIMS is the database location We need to add this directory to Trusted Locations in MS Access Access 2010 13 File Tab Options Trust Center Trust Center Settings Trusted Locations Add new location Path C LIMS Check box Subfolders are trusted click OK Access 2007 Office Button Access Options Trust Center Trust Center Settings Trusted Locations Add new location Path C LIMS Check box Subfolders are trusted cl
156. ormation Sample for Unfilled Positions w i m Design Templates List Instrument Templates General Information Name Picarro depleted Description Picarro 20 Sample IN gt Picara 11021 You have successfully imported information for 32 vials Sample information Sample for Unfilled Positions wi y 3 Print sample list and multi sheet template Tip One useful feature of the Design Template page is the Duplicate button For example suppose you desire 60 30 and 10 sample Los Gatos Research Analysis templates Start by constructing the largest 60 position template duplicate it and edit it by deleting the higher 76 pages to obtain a smaller sample template For the default LGR template however this will also require you to recreate the pages of references and controls that follow the unknown samples Fortunately good performing analytical templates once created need rarely be changed Caution It is easy mistakenly overwrite an existing Analysis Template Be sure to first duplicate and rename an existing editable template before making and saving changes to it 8 6 Multi sheet Sample Layout Printouts The hands on organization of water sample bottles and the vials in relation to the laser Analysis Template may be aided by using a multi sheet template printout This option prints a hard copy of the sequence layout corresponding to the Analysis Template and it helps staff organize the s
157. parameters shown are found on the CombiPAL controller See the Picarro instrument user manuals for the autosampler setup details 95 On all Picarro instruments the sample data collection integration and processing of measured 6 values is done using the Coordinator data acquisition and control software In the screenshot below we see the first 5 injections of an autorun The autorun output data will be saved to filename that was created when the Picarro Coordinator software was started e g HIDS2018 lsowater 201207024 133527 csv The LIMS sample list for Picarro instruments created in Chapter 9 1 can be loaded into the Coordinator when one or more lines of analyses results are reported in the Coordinator window The LIMS sample list can be loaded from the USB flash drive or via a network connection Adding the LIMS Sample List to Picarro Coordinator 1 Start the Picarro analysis autorun and wait for one or more sample s isotopic results to appear in the Coordinator window and before the autorun ends this may take a few minutes following the first sample injection 2 Next in Picarro Coordinator click Load Sample Descriptions button 3 Locate the LIMS generated sample list here denoted For Q 0713 103740 csv here a second Picarro instrument Prefix was Q instead of the default P 4 The information from the LIMS file will now populate fields Identifier 1 and Identifier 2 and will correspond to those samples an
158. parate ready made LIMS for Lasers 2015 backend data bases and analysis templates for Los Gatos Research and for Picarro water isotope laser instruments These are downloadable see Chapter 3 1 backend databases that assume 13 e The Picarro instrument software has the identification prefix P default e The Los Gatos Research instrument software has the identification prefix L default e Uses a 10 20 or 30 sample USGS lab standard template e Local laboratory measurement and control standards assigned values are provided by and must be edited by the user these are initially set to null values or USGS laboratory isotopic reference waters are used For Los Gatos Research users 1 Download the Los Gatos Research LIMS for Lasers 2015 backend data base from the link provided above 2 Review Chapters 4 8 to customize LIMS and to edit or add your local measurement standards and create analysis templates 3 Then go to Chapter 8 9 to get started with samples to be measured For Picarro users 1 Download the Picarro L MS for Lasers 2015 new backend data base from the link provided above 2 Review Chapters 4 8 to customize LIMS to edit or add your local measurement standards and create analysis templates 3 The go to Chapter 8 8 to get started with samples to be measured 14 4 5 Check LIMS for Lasers Version LIMS for Lasers software is continually updated based on user feedback Updates are posted a
159. pecify the next Our Lab ID number assigned to newly imported samples While this option is rarely needed e g to fix errors it is useful for adding laboratory measurement standards and keeping them constrained within a specific W range Generally it is preferable and easier to remember measurement standards having low sequential W numbers For example by default LIMS for Lasers 2015 customer samples start at W 1001 The last default place holder for our lab standards is W 69 This means Our Lab ID numbers from W 70 to W 997 are still freely available to be assigned to new measurement standards Clicking on the Next Sample Number button reveals the next W number that will be assigned to incoming customer samples here W 1011 is the next Our Lab ID 87 Next Our Lab ID The Qur Lab ID consists of a letter prefix W and the integer sample number The Next Sample below is the next integer that LIMS will assign when logging in samples You may edit the Next Sample value but be careful to avoid entering any value that already exists in the database because you may corrupt the database Our Lab ID Prefix Iw Description Water Next Sample 101 1 Suppose we want to add 10 new laboratory standards but have them sequentially follow the current laboratory standards e g ending at W 69 First note the last W number shown here it is W 1011 the last of Smith s samples and write it down Click Edit change
160. pler For example 1 1 means Tray 1 Position 1 whereas 3 7 indicates Tray 3 Position 7 Run Order The numbered order in which samples are run e g 1 2 3 30 unique Amt H20 Injection volume amount in nL e g 400 up to 1200 nL for LGR The amount field is only available to WA 35d TIWA 45EP systems not DLT 100 series If this field is left blank the injection volume is controlled using the instrument setup panel Sample Choose this button to denote an unknown sample Fixed Ref Use the drop down box to select a lab standard control or wash sample Add Page Delete Page add more pages to increase the template length Always delete pages starting from the end 70 Using Excel to Design and Import or Export Analysis Templates It is more convenient to design analysis templates in Excel and then import them into L MS for Lasers 2015 The autofill and copy paste features of Excel make it easy to quickly design and import a new analysis template into LIMS for Lasers 2015 Export Vial and Tray Positions export the selected analysis template to an Excel file Import Vial and Tray Positions imports the Excel analysis template into LIMS for Lasers 2015 The template will be visible and can be edited using the normal Page editing mode shown above LGR v2 WeekEnd eR Create a New Template Edit Vial amp Tray Positions Duplicate this Template Export Vial amp Tray Positions Import Vial amp Tray Positions The graphical
161. port file without Import Type Import Type companion delta oxygen 17 and delta oxygen 18 Import With Normalization Over Sub ranges Import With Normalization Over Sub ranges samples The first few are Bracketed Normalization Bracketed Normalization M Standard Import With Choice of Corrections Standard Import With Choice of Corrections W 33 Standard Import Import Data As Shown Standard Import Import Data As Shown W 34 W 35 W 998 Adjustment for Variation in Delta with Adjustment for Variation in Delta with Varjatios in Relative Water Concentration Varjatior in Relative Water Concentration To import delta oxygen 17 analyses you will need Correct For Change in amp with Rel H20 Conc Correct For Change in amp with Rel H20 Conc to create companion delta oxygen 17 and delta axygen 18 samples for these samples C Do Not Correct C Do Not Correct YE P P Click View Project on the Main Menu Select the Between Sample Memory Correction Between Sample Memory Correction project with the specified sample s v cnc ie AS Yu Correct For Between Sample Memory Correct For Between Sample Memory hibuetes qe D m e DIR ULT C Do Not Correct For Between Sample Memory C Do Not Correct For Between Sample Memory delta oxygen 18 Project button Click Continue Next user selectable model options for the delta value dependency on H20 amounts are displayed sequentiall
162. ports the mean value of all sample repeats that have been evaluated accepted and stored by the analyst There are a number of options for final reporting Clients may receive a printed copy or more typically the results in an Excel spreadsheet 1 On the main LIMS page click on View Projects then double click on the completed project to be reported In this example double clicking on a completed project gave the following screen Projects List All Projects W 4 537 P H Create Companion 6170 amp 6180 Project Edit Delete Close Show Samples Export Results Delta Plot Invoice Print Labels Print Report Find Project By Invoice No Print Small Labels Add Samples to Instrument Template TE ET Project Ready to Report Last Changed 3 24 2015 Delta Values Date Results Reported Submission 4 7 2015 E i ims Customer Terzer Stefan Range w 14438 to W 14519 General Information Purpose GNIP Denmark 3271 Location 7 stations Number of samples with missing delta values o of B2 samples Number of Missing 62H Samples o Number of Missing 185 Samples o 2 Because all samples were measured twice evaluated accepted and stored by the analyst the project status is shown highlighted in yellow as Project Ready to Report The bottom panel of the window shows that none of the 23 samples are outstanding for 60 or 5H 149 3 Before reporting the final results one last step is to examine the project results us
163. posed expansion coefficient and additive correction factors derived from the measurement standards in the autorun are applied to the data Optionally check for instrumental drift by checking Use Linear Drift Correction 3 You are finished Repeat the process for the second isotope delta e g 810 Then evaluate your results Chapter 12 3 Note LIMS reveals our ignored injections as set in LIMS Options Check for outliers here and ignore as needed The bottom panel reveals a summary of the measurement standard results used in the normalization note that bad measurement standards can also be ignored Normalization Equation Coefficients K Picarro 2140i for 52H Ignore Some Deltas Ignore All Deltas Show Normalization One Reference C Normalize with This Reference O True Value All References Normalize with All References Multiple Injections Analysis go T es HUMAN cru Mean UE Force Exp Coef to 1 00000 Std Dev Normalization cote e Use Linear Drift Correction with Time Sa Tete cone iris ien TOTS e Fhe Aid Cor PP Normalization gt wl Expans Add Coef Corr Loos Dritt Correction with Time Right mouse button info available for Our Lab ID Our Lab Vial Rel H20 ime ID Analysis Pos Conc 2015 08 27 14 39 59 K 456 4 103 1776 2015 08 27 14 48 47 K 456 5 10 1734 149 80 149 99 3 1 05 J de 2015 08 27 16 34 22 098207 3 47 Re
164. proposed aquifer site in Texas for the purpose of a water resources project The sample bottles arriving in the laboratory are labelled 1 through 10 33 o o LE ee 10 On the Main Page Click Create a New Project Click Submission Date use the calendar icon to select a date or click Today Choose Smith John from the Customer pull down menu Enter Water Resource Project in Project Purpose or Title field For Location enter Proposed Aquifer Field Site Choose US from country pull down menu In the Sample ID box enter the sample names 1 to 10 one sample per line When done click Save top right A dialog box confirms that you want to create this new project containing 10 new water samples with LIMS assigned ID ranging from W 1001 to W1010 Click Yes The new Project is completed and is now visible in the View Projects tab Login New Samples Add Edit Customer Next Sample 1011 r 2 3 4 E E 7 E 3 ite 3 4 2015 Water Resources Project Smith John m D Proposed Aquifer Field Site y U5 United States of America a nag gt TX Texas fm Sample ID Record Mo 4 E OHE gt Mo Filter Search 34 The minimum information required is a Submission Date Customer and Sample ID Optional Information can be updated or added later Note that sample names must be unique duplicates should be renamed Sample1 Sample1a Sample1
165. r 7 2 Note the assigned value for this control is set to 999 96e for all of the isotope deltas 186 Reference Samples VSMONYW2 SLAP2 High Standard USGS 46 LOW STD USGS 47 USGS 48 HIGH STD DI for Amount Evaluation VEMOW GISP SLAP V5MOW2 SLAP2 High Standard USGS 46 LOW STD Setting up Amount Controls on Los Gatos Research Laser Instrument Note only for IWA 35EP or TIWA 45 EP instruments 1 Create or edit an Analysis template in Excel or in Template Pages 2 Atthe beginning or middle of the template add 3 or more Amount Control vials each having different water amounts In the example below the routine target injection amount using an SGE 5 uL syringe was 400 nL it will be 900 1200 nL for Hamilton syringes The control W 998 was then purposely stepped at 350 400 and 450 nL increments either in Page mode or by using an Excel template In the example below the amount control was placed mid run on Tray 3 in positions 3 28 and 3 29 sequence order 24 not shown 25 26 3 The minimum number of amount control samples required for the concentration correction option is two for linear fit and the maximum number is unlimited for Linear Quadratic Logarithmic etc but generally 3 or 4 vials covering the anticipated H20 range is usually sufficient 4 Generally poor syringe performance results in lower than the targeted H20 yield in the laser cavity thus amount control sample volumes should span just above
166. r Size or Avery L7656 for A4 or equivalent inserted Click Print Affix the sample label to the appropriate sample vial alternately W numbers can simply be written on the side of the vials using a permanent marker 45 W 1001 Sample W 1005 Samples W 1009 Sample Example sheet printout of small Avery labels emm _List All Projects 14 JESON m1 Create Companion 5170 amp 5180 Project Print Report W 1002 W 1006 sample W 1010 Sample 10 W 1003 W 1007 Example Laser instrument 2 mL vial with small Avery label attached 46 6 9 Survey of Unreported Projects For laboratories that manage many samples using multiple instruments e g lasers mass spectrometers it s easy to lose track of unreported analyses or on which instrument s unreported samples were measured or analysed how many times On the LIMS for Lasers 2015 main page click Sample and Analysis Survey of Unreported Projects This feature allows the analyst to identify outstanding samples and identify whether replicates are needed In the window that opens below a list of those Projects whose status is unreported are displayed e g not analysed partially completed or not stored The middle and lower panels reveal the samples in the project how often each sample has been run e g if lab has a run twice policy and on which instrument In the example below we see sample W 12509 was measured 5 times botto
167. ration To import delta oxygen 17 analyses you will need C Correct For Change in amp with Rel H20 Conc C Correct For Change in amp with Rel H20 Conc to create companion delta oxygen 17 and delta n 18 samples for these samples Do Not Correct Do Not Correct Oxyge p p Click View Project on the Main Menu Select the Between Sample Memory Correction Between Sample Memory Correction project with the specified sample s ie s T a H TY Correct For Between Sample Memory Correct For Between Sample Memory E ie e E a l C Do Not Correct For Between Sample Memory C Do Not Correct For Between Sample Memory delta oxygen 18 Project button Isotopic Import Type default Import with Normalization over Sub ranges Standard Import The isotopic data from the laser CSV file are simply imported as is with no corrections applied No instrumental drift or memory corrections are applied during the data import and the other options are greyed out After the import a linear drift correction may be applied when the measurement data are normalized to the VSMOW SLAP scale 122 Standard Import with Choice of Corrections This option uses all of the data in the autorun that are not ignored with choice of linear drift and between sample memory correction applied This option uses all data for normalization that is not ignored and all the measurement results are treated as a single batch There is no bracketed nor
168. rch DLT 100 Instruments 2007 2013 1 Place a flash drive into the USB port of the Los Gatos Research instrument On the instrument click on the File Transfer button located between the panes 3 Onthe left file management pane highlight the appropriate LIMS output file called h20 date 000 LIMS and copy it to the USB flash drive using the file transfer button between the two panes 4 When the file copy is complete click the Exit button Remove the USB flash drive and place it into the LIMS computer USB port 5 Onthe LIMS main page click Import Data from Instruments Choose the appropriate Los Gatos Research instrument from the pull down menu and then click Import Select the appropriate instrument data output file from the USB flash drive ud Los Gatos Research IWA 35EP or TIWA 45EP Instruments 2014 present 1 Place a flash drive into the USB port of the Los Gatos Research instrument Mount the drive Click on the Files button located at the lower right 3 On the left file management pane highlight the appropriate LIMS output file called for example t lwia2015 03 10 lims0001 csv zip and copy it to the USB flash drive using the file transfer button between the two panes 4 When the file copy is complete click the Close button Remove the USB flash drive and place it into the LIMS computer USB port Extract the sample output ZIP file to your computer 5 On the LIMS main page click Import Data from Instr
169. rder 7 2 Sample J Fixed Ref Vial Pos 1 10 Run Order 10 Sample J Fixed Ref rm Vial Pos 11 02 Run Order 2 J Sample Fixed Ref W 32 Vial Pos 1 05 Run Order 5 Sample J Fixed Ref Vial Pos 1 08 Run Order ig Sample J Fixed Ref Vial Pos 1 11 Run Order 11 Sample J Fixed Ref rm Vial Pos 11 03 Run Order Ia J Sample 2 Fixed Ref W 32 m Vial Pos 1 06 Run Order n Sample J Fixed Ref Vial Pos 1 09 Run Order la Sample 3 Fixed Ref rm Vial Pos 1 12 Run Order 12 Sample J Fixed Ref lal Pos vial position of a sample in the tray of the liquid autosampler For example 1 1 means Tray 1 Position 1 whereas 3 7 indicates Tray 3 Position 7 Run Order Numbered order in which samples are run 1 2 3 30 74 Sample Choose this button to place an unknown sample Fixed Ref Use the drop down box to select a lab standard control or wash sample Add Delete Page add more pages to increase the template length Always delete pages starting from the end Using Excel to Design and Import or Export Analysis Templates It may be more convenient to design analysis templates in Excel and import them into LIMS for Lasers 2015 The autofill and copy paste features of Excel make it easy to quickly design and then import a new analysis template into L MS for Lasers 2015 lo Picarrodepleted RR Create
170. rds and the samples 12 Fill the 32 sample and standard vials each with 1 5 mL of sample as per Picarro guidelines Affix or write W number from small labels to each vial Load the autosampler tray with the sample and measurement standard vials according to the printed sample list Picarro 20 Sample Samples To Be Analyzed Vial Pos Our Lab ID Sample ID Project Notes 1 01 W 31 High Standard Refere 20120927 1 02 1 3 Low Standard Refere 20120927 1 03 W 3 Standard Refere 20120927 1 04 W100 Samplel Smith 20150304 1 05 W 100 Samplel Smith 20150304 1 06 W_1003 Samplei Smith 20150304 1 07 Y 1004 Samplei Smith 20150304 1 08 1005 Samples Smith 20150304 1 09 U 1006 Sampled Smith 20150304 1 10 W 1007 Sample Smith 20150304 1 11 W 1008 Samplet Smith 20150304 1 12 W 1000 Sample Smith 20150304 1 13 W 1010 Samplel Smith 20150304 1 14 1 33 Refere 20120927 1 15 W 31 High Standard Refere 20120927 1 16 W 3 Low Standard Refere 20120927 1 17 Wei Low Standard Refere 20120927 1 18 W 1001 Samplel Smith 20150304 1 19 W 100 Sample Smith 30150304 1 20 W 1003 Sampk3 Smith 20150304 1 71 Uu 33 Refere 20120927 1 22 W 1004 Samplei Smith 20150304 1 73 W_1005 Sample Smith 20150304 14 W 1006 Sample Smith 20150304 1 25 W_1007 Sample Smith 20150304 1 26 UV 1008 Sampled Smith 20150304 1 27 W 1009 Sample Smith 20150304 1 28 W 1010 Samplel Smith 20150304 1 29 U 33 Control Refere 20120927 1 30 W 31 High Standard Re
171. re you want to save the Excel file and gives it the default name of the first occurrence of the Our Lab ID in the project e g W 12720 XLS for example above This file can be emailed to the customer 5 LIMS will automatically fill in the Date Reported field of the Customer Project 152 Projects List All Projects W 4 37 P H Create Companion 6170 amp 6180 Project Edit Delete Show Samples Export Results Delta Plot Invoice Print Labels Print Report Find Project By Invoice No Print Small Labels Add Samples to Instrument Template TER EE Last Changed 8 24 2015 General Information Delta Values Date Results Reported 8 24 2015 Submission 4 7 2015 i 5Hand do C lo and 8p Customer Terzer Stefan Range w 14438 to W 14519 Purpose GNIP Denmark 3271 Location 7 stations Project Comments Number of samples with missing delta values o of B2 samples Number of Missing 52H Samples 0 Number of Missing 5l8n Samples o 13 2 Combine Results from Multiple Projects Occasionally a Customer may have several projects or may request results in a single Excel file rather than in multiple spreadsheets or printed reports Once LIMS for Lasers 2015 accumulates several client projects use the search function described in Chapter 6 2 to search for the client project s After the search results are displayed click on any of the following options Print Reports of All Selected Projects this pr
172. ring the Our Lab IDs which consist of the letter prefix A and the integer sample numbers of the range Our Lab ID Range Prefix gt Print 2113133737 Wi gt aber rom 112 Sample range Lab ID Name ah Submission Delta nii Deis 150 572 Lab ID Name Sui Submission 2012 07 18 Dea TS Cmmet Delta 180 463 Comment t m Save as Excel File Created 2012 09 14 09 12 11 Country State Province D00 gt Unknown Cy AC Ame StateProvince 00 gt Cake D wc 7 niic 3 Alkalinity Elevation E me 7 Bottom C m Poe Example of a one page printout of a Sample Range 146 View Edit Information about Sample Analyses Detailed information and an advanced option to directly edit analyses including single laser injections can be found by querying a specific sample on the View Edit Information about Sample Analyses All sample details and its isotopic results can be manually edited and saved In the example we can see the g injection of Analysis 6588 for 6 H on an LGR instrument with Prefix ID N and it corresponds to analysis of sample W 6147 We also see it was not ignored being 6th of 8 injections F Add or Edit Analyses New Analysis New Inj New Procedure Delete Range of Instrument Analyses for List Analysis Information z La
173. rs 2015 for achieving long term accuracy and precision of 6 H 60 and 6 O of waters using laser absorption spectrometry Rapid Communications in Mass Spectrometry Accepted This user manual was written by Leonard Wassenaar and Tyler Coplen Persons involved in extensively testing LIMS for Lasers 2015 were Stefan Terzer and Cedric Douence Feedback from Yesha Shreshta Lauren Brandes Haiping Qi and IAEA interns tremendously helped to improve L MS for Lasers 2015 and the user manual Table of Contents Introduction to LIMS for Lasers 2015 cccccccccccccesecccceesccccaesececcunececcaueceeeausecesausecesseneceesanes 1 LL W atis LIMS Jor Lasers 20 Saad 2 LIMS for Lasers 2015 At a Glance oocccccnccccconoccnnnonocnncnnnccnnonaronnnnononnnnnnonnnonaronnonanonnnnanoss 3 2 1 LIMS for Lasers 2015 ata Gl all CE sans 4 2 2 Routine Sample Autorun CheckliSt ooomoonononnononoonorocnonaciononaciononaoronnonaricnonasos 5 Computer and Software Requirements eese enne nennen 6 3 1 Computer and Software Requirements cccccsseccccssccecesececeesececeeeeceeseesecessuneess 7 Starting with LIMS for Lasers 2015 ooonncnnconncnncnnncnnnonocnnnonaronnonononnnnnncnnnonanonnonanonnnnnaoss 8 4 1 Set up LIMS for Lasers 2015 New Laboratory ccooccccccncccnccnnccnnnnanonnnnnnonnnnnanonnnnos 9 4 2 Upgrading from LIMS for Lasers 2012 eese 13 4 3 Set up in a LIMS for Lasers 2015 in a
174. rument Conditioning VSMOW VSMOW2 3 10 Between Sample Memory SLAP SLAP2 3 1 Between Sample Memory SLAP SLAP2 3 2 VSMOW SLAP Normalization Lab Std High 1 1 Sample Lab Std High 1 2 Sample Lab Std High 1 3 Sample Lab Std High 1 4 Sample Lab Std High 1 5 Sample SLAP SLAP2 3 1 Between Sample Memory VSMOW VSMOW2 3 11 Between Sample Memory VSMOW VSMOW2 3 10 VSMOW SLAP Normalization Lab Std High 1 6 Sample Lab Std High 1 7 Sample O COON 0 UN 32 0 NA H2 160 Lab Std High 6 Lab Std High 6 Lab Std High 6 VSMOW VSMOW2 SLAP SLAP2 SLAP SLAP2 Lab Std Low Lab Std Low Lab Std Low Lab Std Low Lab Std Low SLAP SLAP2 VSMOW VSMOW2 VSMOW VSMOW2 Lab Std Low Lab Std Low Lab Std Low Lab Std Low Lab Std Low VSMOW VSMOW2 SLAP SLAP2 SLAP SLAP2 Deionized Water Sample Sample Sample Between Sample Memory Between Sample Memory VSMOW SLAP Normalization Sample Sample Sample Sample Sample Between Sample Memory Between Sample Memory VSMOW SLAP Normalization Sample Sample Sample Sample Sample Between Sample Memory Between Sample Memory VSMOW SLAP Normalization End Wash 161 Table 4 Template for Calibration of Laboratory Standards using Picarro Instruments In this template 20 laboratory standards are arranged sequentially with VSMOW SLAP or VSMOW2 SLAP2 in the autosampler Ten each of the two proposed laboratory sta
175. s button located at the bottom right of the main screen Mount the USB flash drive 3 Inthe file management pane drag the LIMS sample list For_L_xxxx csv and copy it from the USB side to the LGR data folder using the file transfer button located between the two panes 4 When the file transfer is completed click the Done button 111 2014 10 21 2014 11 12 2014 11 13 2014 11 17 2014 11 18 2014 11 19 2014 11 20 2014 11 21 2014 11 24 2014 11 25 2014 11 26 2014 11 27 2014 12 12 2014 12 15 2014 12 16 2014 12 17 2014 12 18 A 22 Oct 2014 04 5 18 Dec 2014 10 24 Oct 2014 13 2 30 Oct 2014 07 0 11 Nov 2014 15 13 Nov 2014 01 14 Nov 2014 07 18 Nov 2014 06 19 Nov 2014 Q 20 Nov 2014 21 21 Nov 2014 21 25 Nov 2014 00 26 Nov 2014 01 26 Nov 2014 16 27 Nov 2014 19 29 Nov 2014 00 2 Dec 2014 02 5 2 Dec 2014 21 1 4 Dec 2014 09 3 4 Dec 2014 20 4 5 Dec 2014 20 3 9 Dec 2014 02 4 10 Dec 2014 01 6 Jan 2015 02 15 6 Jan 2015 23 10 8 Jan 2015 14 52 8 Jan 2015 17 14 Jnmount USE 3 Oct 2013 23 44 50 3 Oct 2013 23 44 50 5 The LIMS sample run list can now be loaded into the Los Gatos Research Sample List side in order to start the isotopic analysis 6 In the lower middle of the Los Gatos Research Display tab click the LIMS Import button 112 Tray Population Samples To Measure Available Samples Available Standards
176. s for Successful Excel Submission Templates ccccooocccncnnocnnnnnnccnnonanonnnnncnnnnnas 44 6 8 Print Sample and Vial Labels ssl ici Ur Ec ENDS aes 45 6 9 Survey Of Unreported Projects cccccccessccccssseccceesececeeseceeseescceseeseceeseneceseuneceeseeas 47 Isotopic Measurement Standards occcooccccooccnonacononacononacononacononcononarononarononrononannnnns 48 7 1 Primary and Laboratory Measurement StandardsS ccccccccssecceeesseceteseeeeeeeeees 49 7 2 Add and Edit Standards and Controls cccccccssscccceesececcesececeeeeceeeeseceeseneceeeeees 50 7 3 Assign o Values to Standards sia SE edere tao tELeIuE XE Y DRE E NIE RE oov ERES ES 53 7 4 Keep Track of Standards over Time teneret rte er Rr o tei iiet aari 56 Sample Analysis Templates essen nennen nennen nnns 57 8 1 Sample Analysis in LIMS for Lasers 2015 ccccccccssseccccesecceceneccecasececauseceesueceesanes 58 8 2 The Importance of Analysis Templates oocccccooncnnnonaccnnnnnncnnnnnnrnnnonanonnnonaconnnnos 59 8 3 Using Analysis Templates uu riot wal ONES Pese aa 62 8 4 Create a Los Gatos Research 30 Sample Analysis Template 68 8 5 Create a Picarro 20 Sample Analysis Template eese 73 8 6 Multi sheet Sample Layout Printouts cccooccccnonnccnnonanonnnonaconnnnncnnnonanonnonaninnnnnnoss 77 8 7 Add Samples to Analysis Temp lates
177. sers 2015 between sample memory corrections and data normalization procedures may be applied See Chapter 11 196
178. so ioxeo peo 5 smenois merasa 7s 101 feara 10694 00000 fuoo frossa Record lA 1 of 18 ix Ma Filter Search 137 12 4 Print or Export Samples in Progress Some analysts prefer to evaluate analysis results offline using Excel or print out detailed summaries for individual samples before they are stored This is facilitated with the Print Export Samples in Progress button on the main LIMS page which opens the form below Print or Save Analyses in Progress To print delta values of samples in the Table of Samples in Progress select the range of samples by entering the Our Lab IDs which consists of a letter prefix and the integer sample numbers and select the isotope zi Close Save The print Samples in Progress query can be constrained by clicking the Advanced toggle button to allow the user to select a range of analyses from a single instrument Isotope Delta Qur Lab ID 62H Preferences Save As Excel File S gt Su fur W gt Water From 1002 to 11010 Print Amounts and H20 Concentrations Save Only Analyses From a Single Instrument Export with references ol Analyses from to In the above example all 9H analyses of W 1804 to W 1821 can be printed or Saved to a spreadsheet for offline analysis Optionally one may select analyses from only one instrument or include the reference data that accompanied the samples or and include the relative water conce
179. st 1000 analyses Analysis it 435 Inj 11 of Injs 7 a ERES Vial Position 1 32 Instrument K Picarro 2140 Date Time 8 22 2015 12 07 11 AM Amount 100 Amount Unit Our Lab ID Prefix Analytical Results C r Isotope Delta 52H 2 Value 67 32 Ignore v C Instrument Error El Hourly Corr W gt Water Exp Coef 1 00000 Sa mple 15874 Add Corr oo Final Value 67 32 Linearity Adjustment Method Date Previous Penultimate Delta Sample Information Submitter Terzer Stefan y Submission Date 6 4 2015 Sample ID iji 662014 0000000000000 Delta Values 52H and 6180 All of the fields shown above can be manually edited by clicking the Edit button changing the data and saving the updated information As noted these editing options here can be used to edit and change single analyses One can add a new analysis new peak injection or a new procedure Important Advanced editing features are intended to facilitate repair of faulty analyses where the analyst has corrected the data offline However an autorun of bad results is better to be repeated than to be manually edited n short manual editing of sample results is discouraged under normal operations 147 13 Report Isotopic Results 13 1 Report 60 6 H and 6 O Results to the Customer The reporting of final stored 60 6 0 and 6 H results to the customer is done from the Projects Page L MS for Lasers 2015 re
180. strument specific The total number of injections for each water sample vial on Picarro instruments is set up on the PAL handheld device e g 11xx Series or G2000 Autosampler Configurator Software e g 21xx Series Instrument Prefix The ID prefix P is coded into the instrument Coordinator INI software For laboratories having two or more Picarro instruments this code must be unique for each instrument e g P Q T This requires manually editing the correct Coordinator ini file s using NotePad and simply changing the Instrument prefix header to the chosen letter Note that there are unique Coordinator INI files for each method e g High Precision High Throughput 1O in Np etc You may be required to change the instrument prefix in several INI files It is not a difficult task but contact Picarro for detailed instructions on changing the default instrument prefix ID for your specific instrument configuration Caution If you have multiple laser instruments be sure they do not have the same instrument ID letter L MS for Lasers 2015 tracks sample data from each Instrument via its unique Prefix ID Caution If you return your instrument to Picarro for repair and they replace the hard drive ensure that Picarro sets the correct prefix letter and analysis number to those values that were on the instrument when you returned it for repair 25 6 Customers Projects and Samples 6 1 Add and Edit Customers Before water isotope s
181. sults falling outside this limit are flagged and their sample IDs displayed a warning that the run may be compromised by septum or syringe failure is provided This gives the laser operator a chance to review and check their instrument hardware and possibly reanalyse the samples before erroneous results are imported Between Sample Memory Between sample memory in LIMS for Lasers 2015 is quantified using two local measurement standard pairs that differ greatly in their 6 values by at least 40 o and 5 o for 6 H and 670 60 respectively and are sequentially spaced multiple times throughout the autorun A measurement standard with a substantially different 6 value is followed by two successive vials of the second standard in order to calculate between sample memory The memory corrections for standard sets in the autorun are averaged and they are applied to all samples in the autorun LIMS calculates between sample memory using non ignored injections of sample and standards The advantage of this approach is that memory corrections are calculated using the mean of repeating groupings of two references with widely separated 6 values throughout the entire autorun and not inconsistently amongst pairs of differing samples having large or small differences in 6 values Further it does not matter how many injections are ignored because the between sample memory correction is quantified and follows Identical Treatment principles The determin
182. t Early generation laser instruments or new instruments insufficiently warmed up may exhibit linear drift over the course of an autorun Whereas the physical constraints of septa and syringes require routine instrument maintenance as described in the user manuals from each laser supplier L MS for Lasers 2015 helps by identifying and correcting for these issues as described below Poor Injections The failure of syringes and septa usually result in low or highly variable H20 yields in the laser cavity or errors reported by the instrument software Laser instruments often exhibit responses in measured 6 values that are dependent on the cavity water vapour amount therefore precise and highly consistent water injections are crucial While mechanical hardware failure like a jammed syringe may be obvious less noticeable are poor injections or variable sample yields when vials are insufficiently or over filled or if the syringe is performing badly Locating poor sample injections among hundreds of injections is difficult to identify by scanning hundreds of rows of comma separated CSV data in Excel To screen for poor injections imported laser data files are checked by LIMS for Lasers 2015 to ensure H O yields are consistent across the run A graphical cross plot of water yield by injection number is presented to the analyst after data import The plot shows individual sample and standard injections relative to 85 96 of the mean H20 yield Re
183. t the Web links given above To determine which L MS for Lasers version you are using click the About menu on the main page see below To update LIMS for Lasers download the new zip file and extract the user interface Follow Step 3 and then Step 7 in Section 4 1 If you created a Windows desktop shortcut to the frontend interface folder be sure to update the shortcut to the newer version About LIMS for Lasers 2015 N LMS for Lasers 2015 Version 10 077q for Microsoft Access 2007 2013 August 20 2015 Tyler B Coplen U S Geological Survey 431 National Center Reston Virginia 20192 USA E mail thcoplen usgs gov With Assistance from L l Wassenaar ana park E mail lwassenaar iaea org DISCLAIMER and NOTICE Please refer to the USGS Software User Rights Notice http water usgs qov software help notice for use copyright and distribution aam manam nt dm am RS ma vnl l eee Se La a hom normal Iss 2 tha II T fone lane pamm a og 15 4 6 Customize Laboratory Settings Prior to adding laser instrument s to LIMS for Lasers 2015 you should make your own laboratory customizations location laboratory name paper size printers etc These customizations create a new file in the LIMS directory named LM9PREFS ACCDB which retain your laboratory s details Depending upon the computer settings the file extension ACCDB may not be visible The Preferences file must reside in
184. t Soo tr a oves Rust Imi URepf 125 12 Normalizing Evaluating and Storing Results coooccccnnnonnnccnnnnonanocinnnonanicnnncnonanoss 126 12 1 Normalize Data to the VSMOW SLAP Scales c ccssccccsssecceceseceeeeesecesaeneceeeeneces 127 12 2 Normalize Data Without Bracketed Normalization cccccconoccnnnnnnnnccnnnnss 131 12 3 Evaluate Analyses in Progress iii 133 12 4 Print or Export Samples in Progress cccccssecccessscccceesececeenecceceeceeeeesecetseseceseeneces 138 12 5 Store Final Results to Projects tu nodi esp out te Iu ibi doo Goa 139 12 6 Add Stored Results Back to In Progress cccccccsssececessececeeececceeseceseeeceeeuneceeseees 141 12 7 AA aa 142 12 8 Query and Edit Results and Information eese 144 13 Reporting Isotopic Results Wii dai ii ai 148 13 1 Report Project Results to CUSTOMETL csseccccsscccceesececeeececeeeceeseusecesausesesseneces 149 13 2 Combine Results from Multiple Projects oooccccoocccncnnocnnnonanonnnnanonnnonaconnonanonnos 153 13 3 PrOJEcCtIINVOICINE oeann T I MEUM 154 13 4 Export to ASCII File with Reporting Text ooocccccnnccnncnnccnnnnnncnnnnnncnnnonanonnonanonnnnnaoos 155 14 Sources and Calibration of Local Laboratory Standards cccccoooccccnnnononccnnnnonaninos 157 14 1 Sources of Primary Water Isotopic Reference Materials seseeeess 158 14 2 Sources
185. t up properly see previous section Microsoft Access Security Motice PEA m4 Y A potential security concern has been identified Warning It is not possible to determine that this content came from a trustworthy source You should leave this content disabled unless the content provides critical functionality and you trust ts source File Path C 1 OR LASERS 2015 TEST LIMS LMSPREFS ACCDB This file might contain unsafe content that could harm your computer Do you want to open this file or cancel the operation More information Open Cancel 9 Click Open a warning will not appear if Trusted Locations are correctly set 10 LIMS for Lasers 2015 will ask for the location of the Back end database y D Cannot find the database for the analysis and sample data y Previously it was EXLIMS for Lasers Back end DB 20120502 accdb Please find the database for your samples and analyses 11 Click OK and use the file dialog to navigate to C LIMS Backend and Select the new Picarro or Los Gatos Research or the newly renamed backend file that you copied previously in Step 4 or 5 A Find Your Backend Access Database Ld k Computer Local Disk C LIMS Backend Organize New folder Al Mii Mame Date modified 4 LIMS BACKEND DB for LGR 20121002 accdb 2012 10 04 08 52 Microsoft Access 2416 KB Fa 4 LIMS BACKEND DB for Picarro 20121002 accdb 2012 10 04 09 25 Microsoft Access
186. tedly changing LIMS field header names is very strongly discouraged Give clear thought to what information is required by your laboratory and stick with it Note The LIMS for Lasers 2015 permission insignia shown above must be retained on import spreadsheets for legal purposes because this software is provided by the U S Geological Survey and the IAEA at no cost Sample Submission Template Protection Experience has shown that Excel sample submission templates are invariably altered by customers e g customers may try to delete or add columns paste incorrect cell formats paste to a new spreadsheet etc all of which cause import failure in LIMS for Lasers 2015 43 For this reason the submission worksheet should be protected to allow customers to only fill out those fields required by the laboratory While Excel cell protection is not foolproof your laboratory should provide explicit instruction for its use To help protect your Laboratory Sample Submission Excel spreadsheet poe Eo In Excel 2007 10 Click on the Review Tab Click on Protect Sheet enter a new password and record it Save the file distribute to Customers Now clients can add their information to the sample data fields required by LIMS All other fields are locked against editing unless the password is disabled 6 7 Tips for Successful Excel Submission Templates Based on our experience with hundreds of clients here are some tips for
187. ter e Microsoft Office 2007 2010 or 2013 Pro with Access for Windows installed e Network access to the isotope laboratory LIMS backend database Software e The LIMS Data Viewer v11 02 or later The LIMS Data Viewer can be downloaded at no cost from the IAEA or USGS Web sites http www naweb iaea org napc ih IHS resources sampling htmlHlims http isotopes usgs gov research topics lims html 173 16 3 Installation 1 Download and extract the LIMS Data Viewer to your desktop or a folder Ensure Microsoft Office 2007 or Office 2010 13 32 bit with Microsoft Access is installed Ensure Access has the Viewer file location added as a Trusted Location see Chapter 3 1 2 Double click to open the file LIMS Data Viewer accdb 3 The following message will appear requesting the location of the laboratory LIMS backend database LIMS Data Viewer I Welcome to LIMS Data Viewer Please find the database for your samples and analyses For running the tutorial it is DATA FOR LIFE mdb 4 Click OK and use the file dialog to navigate to the backend database location as provided by your isotope laboratory manager or administrator This may be a network location or a mapped network drive As an example below C LIMS Backend the Select the backend database Note to Laboratory Managers it may be prudent to provide client access to a synchronized copy of the laboratory LIMS database on a different network drive rather th
188. ters Collection Date Elevation End Collection Date o 0 000 O Country aT gt Austria E Bo State Province 009 gt Wien Vienna ll On each page information about each sample is summarized This information includes e The sample Lab ID a W number assigned by LIMS e The sample 6 H and 6 0 50 results if evaluated and stored e Various optional customer supplied information about the specific sample 32 Clicking on the Analyses button opens a window that gives detailed information about the isotopic analyses of each sample including the date analysed the instrument name method etc This window opens only if one or more sample analyses have been completed Analysis List gt Sample Information Our Lab ID W 31 Sample ID W 31 Control Submitter pU Submission Date 5 6 2006 Delta Values 52H and 6180 5H Instrument A gt Isoprime DI Analysis EN Injection m DateTime 5 1 2015 7 40 27 AM Vial Position Amount Amount Unit Penultimate 52H 4923 Ignore Instrument Error a Error Hourly Corr ETS Exp Coef 009995 Add Corr 1080 Final 62H 5153 _ Linearity Adjustment Date Previous Penultimate Delta 6 3 Manually Create a New Project Manual 6750 and 6 H Project creation and typographical entry of samples is illustrated using an example John Smith previously added Customer has submitted 10 water samples from a
189. the normal target H20 amount and span several lower H20 concentrations Note Ensure the variable injection volumes are in the operational range of the instrument 187 Linearity Test v4 Vial Pos 3 29 Run Order 25 Amit 450 2 Sample 2 Fixed Ref W 998 Vial Pos 3 2 Run Order 28 Amt 400 _ Sample Fixed Ref W 33 mm Vial Pos 1 14 Run Order 31 Amt 400 2 Sample Fixed Ref Vial Pos 3 19 Run Order 34 Amt 400 J Sample 2 Fixed Ref W 35 m Vial Pos 3 28 Run Order 26 Amt 350 J Sample 2 Fixed Ref W 998 Vial Pos 2 1 Run Order 29 Amt 400 J Sample 2 Fixed Ref W 33 lia Vial Pos 1 15 Run Order 32 Amt 400 Sample Fixed Ref Vial Pos 3 1 Run Order 35 Amt 400 Sample Fixed Ref W 33 Delete Page Vial Pos 3 10 Run Order 27 Amt 400 J Sample 2 Fixed Ref W 34 Vial Pos 1 13 Run Order lao Amt 400 Sample Fixed Ref Vial Pos 1 16 Run Order 33 Amt 400 Sample Fixed Ref Vial Pos 3 10 Run Order 36 Amt 400 J Sample Fixed Ref W 34 Example templates above and below for a new Los Gatos instruments showing two amount control samples 188 Setting up Amount Controls on Picarro Instruments Alignment al Pu F9 XE SES E J RE SU onm SOL G 22 1 11 23 1 12 24 3 28 2037 29 26 3 26 27 3 10 28 3 2 29 1 1 30 1 13
190. the same directory as the LIMS front end file If the LM9PREFS file is mistakenly deleted your customizations will be lost and LIMS reverts to default values if you install an updated L MS for Lasers 2015 front end However if you move the front end interface to a new folder and forget to move LM9PREFS ACCDB LIMS for Lasers will create another preferences file with your custom laboratory settings O To protect against mistaken entries and deletions all editable forms in LIMS for Lasers 2015 require the user to click on the Edit button at the top of the screen before edits can be made This may be confusing at first remember it is for your protection Think Click Edit and it will become a routine habit Dt On the Main Page Click Special Features Options Click Edit the control now changes to Save Enter your Organization Name select your Country and printer paper size Choosing Any Installed Printer will bring up a Windows Printer Dialog box instead of immediately printing to the default Windows printer Maximize LIMS forces a full entry page on your display Invoicing features are optional enable or disable as desired Include Sample ID and abbreviated project info adds more detail to the printouts of sample lists as various laboratories prefer more or fewer levels of detail on their reports The customizable user defined options on the right side are fully discussed in Chapter 6 5 The in
191. the successful use of client supplied Excel sample submission forms In the Laboratory Download one of the provided unprotected Excel template to add edit your required data contact information address add your laboratory logo etc Ensure any changed optional fields in Excel exactly match those in LIMS Options Protect your distributable Excel Submission Template with a password Test your new Excel import file with dummy data to ensure that the imports work correctly Do not combine different customers samples in a single project this will be confusing For your Customers Send protected Excel Submission forms to your customers or post on your Web site Recommend that customers keep a copy of the original Excel template for future samples Customers should complete their information and Save As using an appropriately descriptive filename The Excel Submission Template should accompany the water samples on CD or by email A hard copy of the Excel submission sent along with the water samples is useful The minimum information required is Lastname Firstname Submission Date and Sample IDs 44 INSU UCUONS Information in RED is required e T Information in BLUE is recommended if available Complete and Save As MySamples xls Caution Sample ID must be unique no duplicates State Prov Code Degrees Lat Degrees Lon Collection Date see tab below DD MMSSSS DD MMSSSS Yr M D Ohio 38 989722
192. the values for 6 0 and 6 H 6 50 24 76 96o 6 H 189 2 960 50 14 2 o W 71 as shown above To Add a Control Standard 18 Repeat steps 3 to 7 instead using sample W 33 Control 19 Enter the O value of 999 o remember do not add any 5 H or 6 O Controls 20 Click Save 21 Click Close 54 To review the newly edited list of your international and laboratory standards and their assigned 6 values in Special Features click on Assign Lab References and then click the List button on the upper left The figure below lists the international measurement standards the newly added laboratory standards and the control sorted by element and their corresponding W Our Lab ID numbers If you need to change the assigned 6 values of international or local measurement standards highlight the specific standard and isotope delta to be changed in the list and click Edit Then enter the new 6 value in the Final Delta field and click Save Add a New Lab Reference Edit Delete Close isotopic VSMOW2 in the Final Delta High Standard Low Standard High Standard Low Standard 3 IMPORTANT INFORMATION ABOUT ASSIGNED LAB STANDARD VALUES Newly edited laboratory standard values affect only future results and samples that have not yet been normalized and stored Previously normalized and stored results are not changed i retroactively they retain the normalization para
193. tion ID customer analysis date and a summary of the normalized results Mean and Std Dev Here we note sample W 1804 was analysed twice as Analysis numbers Q 959 and Q 993 in the Multiple Peak Summary window The mean normalized VSMOW values for each set of injections are summarized and both mean measurements for this sample 6 H of 2 36 o and 2 48 o agree well which indicated we can accept the final result 135 The bottom table shows W 1804 was measured on July 13 and on July 16 2012 We see the normalized data and the ignored injections Also shown are the vial positions used and the scale expansion and additive correction factors if applicable Using the navigation arrows check all of the samples that need to be evaluated Ensure that you check all samples within each autorun for example if samples from several projects difference groupings of W numbers were included Where there is a significant disagreement between the 6 H or 6 O values of two different assays of the same sample that sample should be measured a third time If two of the three results agreed well one can reasonably conclude the third outlier might have been a bad analysis or a mixed up vial Judging what is a significant discrepancy is a matter of professional judgement The judgement takes into consideration the required level of precision needed and the accuracy that the instrument used can reasonably achieve As a first suggestio
194. tion Management System LIMS for Lasers 2015 automates all of these difficult processes and eliminates spreadsheet manipulations L MS for Lasers 2015 makes use of templates that apply Identical Treatment principles to samples and measurement standard analyses Templates have multiple occurrences of measurement standards to quantify between sample memory instrumental drift correct for H O amount and to normalize results to the VSMOW SLAP scale Controls are used to track long term QA QC and laboratory performance In this document reference and standard are used interchangeably LIMS for Lasers 2015 manages client and project data for all laser instruments which otherwise requires extensive user input Laser output files are imported into L MS for Lasers 2015 for processing Results are screened for outliers between sample memory amount dependence and drift These are then corrected Laser performance is monitored using control standards and by 6 H vs 6 O cross plots These automated processing features improve accuracy and precision and help reduce mistakes and errors This document describes how to implement L MS for Lasers 2015 for Los Gatos Research and Picarro instruments into daily laboratory operations To facilitate use of L MS for Lasers 2015 this document contains links to the latest software repository A performance benefits summary of LIMS for Lasers 2015 is found in Coplen T B amp Wassenaar L I 2015 LIMS for Lase
195. to the corresponding LIMS information The instrument should be ready to run as per manufacturer user instructions 1 Place the flash drive containing the Los Gatos Research sample list file into the USB port of the laser instrument 2 Onthe Los Gatos Research instrument click the File Transfer button located at the bottom of the main screen 3 Inthe file management pane highlight the LIMS sample list For L xxxx csv and copy it from the USB flash drive side to the LGR data folder using the file transfer button located between the two panes 4 When the file transfer is completed click the Exit button a Local Drive p S af USE Key y ho _201 20730 ont _ h o_20120730_00 2 h20_20120730_007 4 _j h20_20120730_001 tx 2012 07 30 c8v L hao 20120730 DO LlhW3 hao 20120730 D00 txt hao 20120730 DOO txt lor hao 20120730 DOD txt sp jh2o 20120727 DO2 LIMS hao 20120727 02 txt hao s 120727 _002 tt gr _ h20_201 20727 _002 txt sp ha2o 20120727 O01 LIMS 2 h20 20120727 _001 txt 2 h20_20120727_001 tt lor 2 h20_ 20120727 001 txt ap 3 h20_20120727_000_LIMS hao s 120727 OD0 txt ha2o 20120727 DOO txt Jor hao 20120727 D00 txt sp hao 20120611 O01 LIMS hao 20120611 001 txt S err55 274607 269314 0414259 35046 10040 12354 54259 1995058 alar 13714 990 59 413053 alar 13714 990 59 411454 3123 13714 99059 421704 2rb315 2710
196. tope lasers or projects a Complimentary Project must be created for 6 0 Caution Specialized templates are required to achieve the 30 50 per meg uncertainties required for 6 O and O excess data interpretations Achieving this high level of precision requires many more injections than routine 6 H and 6 O analyses Measurement of 6 0 is therefore considered to be a distinctive analytical activity and it is thereby treated separately in LIMS for Lasers 2015 First create the water isotope Project for 6 H and 6 O as described in Sections 6 3 above and 6 5 below 1 Open the H and 6750 Project that also requires 6 O assays 2 At the top of the Project 6 H and 6 O window click Create Companion 6 O and 60 Project 36 Projects List All Projects W 4 SUE F YR Create Companion 6170 amp 6180 Project Edit Delete Close Sa O O Show Samples Export Results Invoice Print Labels Print Report Find Project By Invoice No Print Small Labels Unpaid Invoices Last Changed 6 23 2014 Delta vale em Date Results Reported 23 2014 Submission s 6 2006 Ed C 67H and 6o Companion 67H and 6 6 2006 Reference To and lBo 5180 project W 31 to W 69 EI Project No 30 Range W 8389 to W 8427 Purpose Lab references for 170 General Information Location Vienna Project Comments Number of samples with missing delta values 34 of 39 samples Number of Missing 61 0 Samples
197. ueue choosing either option outcome is identical 8 11 Removing Samples from a Queue Samples added to an Analysis Template queue will continue to accumulate as they are added until all the samples have been measured and their run flag is set to zero or are they put at the front of the queue or deleted altogether from the queue 84 There are two ways to delete samples from a current Analysis Template queue This action may be required for example if one has mistakenly added samples to the wrong instrument template or one simply wishes to remove cancelled samples Deleting Queued Samples from the Project Page If one added samples from an entire project to an analysis template queue they are deleted them the same way they were added In the Project pane click Add Samples to Instrument Template The following window opens now instead click Delete to remove all of the project samples from the template queue or alternately eliminate selected samples using the From and To boxes Add Samples To Be Analyzed 8 24 2015 Smith 10 samples Add Samples to Selected Template Samples can be added to the Table of Samples to be Analyzed Select the Template and select Add At the Front of the queue or the End of the queue General Information Template Los Gatos 20 Sample Los Gatos 20 Sample From 11000 To 11010 Number of non consecutive sample repeats I For example for an entry of 2 for 3 sa
198. uments Choose the appropriate Los Gatos Research instrument from the pull down menu and then click Import Select the appropriate instrument data output file from the USB flash drive D 115 2 Local Drive Ti g xr USB Key momedaridatal m O Date Modified es arros Fl 05 01 2012 08 23 45 PTS 2012050_001 LIMS erab r is 01312012 10 28 72 3 h2o_201207 tet 269314 File OFS 012 10 28 72 4 h2o 2012073 detlgr 6414259 File 0151 2012 10 28 72 3 h2o_201 20750 tsp 36046 File 0r131 2012 10 25 3 3 2012 07 30 c5v 30049 File OF 3042012 03 34 35 b h20_20120730_000 1725 File Ur 3052012 12 25 hao 20120730 DOD txt 354 File OF 30 2012 12 25 hao 20120730 DOD txtlgr ma 0750 01222 h2o 20120730 O0 txtsp 198088 File OF 30 2012 12 25 haee 2 120727 O02 LIMS 3127 File 7 27 2012 03 12 haa 2 i20727 n 2 txt 13714 File 7 27 2012 03 12 2 h20_20120727_ D02 txtlgr 89059 File haee 2 120727 D02 txtsp 413033 File hae 2 120727 DO1 LIMS 3127 File 2 h20_20120727_001 txt 13714 File 2 h20_20120727_ 001 txtlgr 99059 File 2 h20_20120727_ DOl txtsp 417454 File hae 2 120727 DOO LIMS 3129 File hae 2 i20727 n 0 txt 13714 File hae 2 120727 DO0 txtlgr 99059 File hae 2 120727 DO txtsp 421704 File hae 20120811 DO1 LIMS 276313 File h20 20120611 O01 tet 271066 File One 72012 03 12 OT 27 2012 03 12 07 27 2012 01 10 07 27 2012 01 10 07 27 2012 01 10 07 27 2012 01 10 r 27 2012 12 31
199. v9 Laboratory een 13 4 4 Quick Start Backend Database cnica iii 13 4 5 Check LIMS for Lasers Verlo Scion aiii iii 15 4 6 Customize Laboratory Settings cccooocccncnnocnnnonannnnonanonnnnononononanonnonanonnnnnaronnonanonoss 16 4 7 LIMS for Lasers 2015 Backend Database Locations cccconcccnccnncnnnnnanonnnnanonnnonanos 18 Adding New Laser Instruments cccccesecccssecccssceceececenececeneceeeneceeeneeseesceseuecessueceneeeees 19 5 1 Add a Los Gatos Research DLT 100 24D InstruMenNt ooccccnncccnnnnnccnnnnnacinnnnininnnnns 20 5 2 Add a Los Gatos Research IWA 35EP or TIWA45EP Instrument e 21 5 3 Ada a Picarro THSEFULTTIB PIE resaca 24 Customers Projects and Samples ccccccccssscccceesececcesecceceuscceeeeeceeeeeecceseusecesseeceteuees 26 6 1 Add Edit Customers occcconccccnonicccnonncnoncnnarinnonacnnnonnorononnarannonarrnnonnarennonarinnonaricnnnas 27 6 2 Add Projects and Samples sninsraa ii 28 6 3 Manually Create a New ProjecCt ccccoocccnconocnnnonaccnnonanonnnonaconnnnnonnnonanonnonanonnnnnnoss 33 6 4 Create a 6Y O Project c cccceccccescescescessescssscescescesceeceececssesacsacsaceaeeseacseseesaetaeeaeeateas 36 6 5 Import a New Project using Excel oonccnccnocnnncnncnnnonanonnnonaconnnononnnonancnnonaconononaoos 40 6 6 Customer Excel Submission FOIMS cssccccesssccceeseccceeseceeeeuecceseusececsueceeseneeeeeas 41 6 7 Tip
200. voicing capability is discussed in Chapter 13 3 When done click Save and Close and Close again to return to the Main Page 16 Organization Name i US gt United States of America rm ID Conductivity Temperature Alkalinity Other Info 8 17 4 7 LIMS for Lasers 2015 Backend Database Locations It is a good idea to ensure your LIMS for Lasers 2015 backend database location and backup location is set up permanently and is routinely backed up 1 Click on Special Features 2 Click on Backend Database the following screen opens BackEnd and FrontEnd Databases As a Microsoft Access database is used it expands To remove the unused space and reduce file size users Close md can set LIMS to compact automatically the frontend LIMS database This process is similar to defragmenting a disk drive Users may compact the backend LIMS database as follows 1 Close LIMS and make a backup of the backend LIMS database in case of problems 2 In Office 2007 2013 open the backend database 3 Click the Office button 4 Select Manage Compact and Repair database Back end LIMS database Country Location Codes Back end Database Location Version of Country Location Codes in Backend DB C DUMP LIMS BACKEND DB FOR LGR 20121002 ACCDB 2012 Connect to a Different Back end Database Compact LIMS back end database once next time LIMS closes Monday To Sunday Backups of Back end LIMS databas
201. ween Sample Memory SLAP SLAP2 1 35 35 VSMOW SLAP Normalization 162 14 4 Calibration Template Procedures Recall from Chapter 7 1 that LIMS for Lasers 2015 comes with a Project called Lab references containing placeholders for new local laboratory measurement standards that range from Our Lab ID W 31 to W 69 In this example the two new local laboratory standards to be calibrated against VSMOW2 SLAP2 were assigned Our Lab ID W 40 and W 41 see Chapter 7 2 for editing and renaming existing placeholders for laboratory standards For Los Gatos Research Instruments 1 OnLIMS Main Page click View Projects 2 Open the Project called Lab References 3 Click on Template List Add or Remove Samples ES Add Sam ples To Be Analyzed 2006 06 06 Reference Samples can be added to the T able of Samples to be Analyzed Select the Template and select Add At the Front of the queue ar the End of the queue General Information Template Lab Std Cal SMO W SLAP2 Calibrate Lab Stds Using YSMOW2 S LAP me From Ta i N Number of non consecutive sample repeats E For example for an entry of 2 for 3 samples named w 7 AAA and ww 3 one would have Wi w 8 and V 3 on one template AND w 7 48 and wV 3 en the nest template Mumber of consecutive sample repeats E For example for an entry of 2 for 3 samples named V7 w B and 4 9 one would have samples W 7 Ww WEL WEL w 8 and 9 all an one template Add
202. wise indicated This means that if the same sample were resubmitted for isotopic analysis the newly measured value would lie within the uncertainty bounds 95 percent of the time References Coplen T B 1994 Reporting of Stable Hydrogen Carbon and An example of Reporting Text for the ASCII data export 156 14 Sources and Calibration of Local Laboratory Standards 14 1 Sources of Primary Water Isotopic Reference Materials VSMOW2 and SLAP2 are the current primary measurement reference standards for water isotopes They are available from the IAEA at the following Web link http nucleus iaea org rpst ReferenceProducts ReferenceMaterials Stable Isotopes 2H180 water samples index htm Information Sheet on the new International Measurement Standards VSMOW and SLAP VSMOW Vienna SLAP Standard Light Antarctic Precipitation 2 The two reference materials VSMOW and SLAP were produced to replace the exhausted reference materials VSMOW and SLAP Their isotopic compositions for both 4 H and O were adjusted to be as close as possible to the predecessor materials The reference values were assessed from data measured by three laboratories in a calibration exercise measuring the 4 H and O data of VSMOW and SLAP in direct reference to those of VSMOW and SLAP Table 1 The stated combined standard uncertamties are evaluated from the measurement uncertainties in the laboratories for the involved materials and
203. y for each isotope delta in turn In the panel below be sure to select the targeted amount control sample from the Our Lab ID box In this case our amount control standard was W 998 193 Adjustment for Variation in Delta Value with Variation in Relatrve Water Concentration This form enables users ta adjust delta values for Import Adjusted variation in relative H20 amount in case there is a uu significant variation in delta value with instrument Delta Values relative H20 amount Select QurLablD and Ignore analyses of this QurLablD as desired Select regression type and trendline and A Cancel squared value will be shown DurLablD Z Regression w 398 f Linear C Quadratic a C Logarithmic C Power Hyswow in o Trendline Boj 62H 0 087 x Rel Water Conc 16 77 4 5 n2 R squared 0 01 dm Relative Water Concentration Right mouse button info available for Our Lab ID and instrument error me ip Amis imi Pos Rone om enor Dea Dona ty Time Analysis Pos Conc Error Delta Delta Ignore multiple peaks Aa aaa wees wine s p iz imb 40 cese Sa ws wine e xz 328 am 358 368 a wem ma 7 xm az 00 385 3895 ver wu 3m aoe 00 63 363 IEA ws ame s ae 329 sw ame 385 wse m7 38 485 80 388 383 careers zem ws Wier D zm a8 4 82 E EE EA 3 9 as E

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