ATTACHMENT A2: Instrument Integration Mapping · Metals HG LEEMAN HYDRA II Leeman Hydra II AA Envoy...

Laboratory Information Management System (LIMS)

ATTACHMENT A2: Instrument Integration Mapping

July, 2018

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C O N T E N T S

Contents

INTRODUCTION ............................................................................................................................... 3

1.1 Purpose ............................................................................................................................................................. 3

1.2 Terminology ...................................................................................................................................................... 3

INSTRUMENT LIST ........................................................................................................................... 4

INSTRUMENT INTEGRATION DETAILS ............................................................................................. 6

1.3 Organics ............................................................................................................................................................ 6 GC/MS AGILENT VOA ............................................................................................................................... 6 1.3.1 GC/MS AGILENT VOA II ............................................................................................................................ 8 1.3.2 GC/MS THERMO ISQ .............................................................................................................................. 10 1.3.3 GC/MS THERMO ISQ 2 ........................................................................................................................... 11 1.3.4 GC/MS VARIAN 240 ............................................................................................................................... 14 1.3.1 GC/MS THERMO TSQ ............................................................................................................................. 15 1.3.2 GC TRACE ULTRA .................................................................................................................................... 18 1.3.3 GC TRACE 2000 ...................................................................................................................................... 19 1.3.4 GC ECD 1 & GC ECD 2 ............................................................................................................................. 21 1.3.5 IC TOC 1030............................................................................................................................................ 22 1.3.6 IC SYSTEM METROHM and IC COMPACT METROHM ............................................................................ 24 1.3.7

1.4 Metals ............................................................................................................................................................. 25 HG ANALYZER TEKRAN ........................................................................................................................... 25 1.4.1 HG LEEMAN HYDRA II ............................................................................................................................ 27 1.4.1 ICP PE OPTIMA 5300DV ......................................................................................................................... 29 1.4.2 ICP-MS AGILENT 7900 ............................................................................................................................ 30 1.4.3 SPEC. FLRSC. VARIAN ............................................................................................................................. 32 1.4.4

1.5 Inorganics ....................................................................................................................................................... 34 AUTOTITRATOR METROHM ................................................................................................................... 34 1.5.1 SPEC. UV/VIS AGILENT ........................................................................................................................... 35 1.5.2 SEGMENTED FLOW ................................................................................................................................ 38 1.5.3

1.6 Biology ............................................................................................................................................................ 39 SKALAR ................................................................................................................................................... 39 1.6.1 MICROPLATE READER ............................................................................................................................ 41 1.6.2 GEL IMAGING SYSTEM ........................................................................................................................... 43 1.6.3

1.7 Balances and Meters ...................................................................................................................................... 43 BALANCES .............................................................................................................................................. 43 1.7.1 Meters.................................................................................................................................................... 44 1.7.2

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I N T R O D U C T I O N

1.1 Purpose

This Instrument Integration Mapping report documents the instruments currently existing at the laboratory in each of the functional areas that are used each day to analyze incoming samples. The instruments listed in this document cover the following sections:

Organics (Dept. 3) Organics (Dept. 4) Inorganics (Dept. 6) Metals (Dept. 8) Biology (Dept. 9) Balances (Various Departments) Meters (Various Departments)

The primary purpose of the Instrument Integration Mapping report is to describe the current steps associated with the instrumentation and the movement of results into the LIMS and present the required mapping for future integration. As a part of this document, each instrument will be discussed and the output file(s) currently generated broken down so that vendors will have both an understanding of the current setup and process as well as to identify future needs to drive the automation process for instrument integration.

1.2 Terminology

Term Description

EBMUD East Bay Municipal Utility District Laboratory

COTS Commercial Off-the-Shelf, a system designed for wide distribution with few changes for a given installation

LIMS Laboratory Information Management System

RFP Request for Proposal

DEM Data Entry Monster, the internal utility for uploading data via EXCEL spreadsheet

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I N S T R U M E N T L I S T The table below contains all of the instruments that are currently utilized by the laboratory. Some of the instruments on this list are not targeted for integration currently, but this will be decided after a vendor has been selected. Also included in this list are several balances that do not require integration but some may be connected to the selected LIMS with Wedge software. The laboratory does utilize Wedge software currently in the solids area however; they do not currently pass data directly into the existing LIMS. The weights are passed to a spreadsheet that is then consumed using a developed utility built in-house. The following table (Table 2.1) provides all instruments identified for this discussion.

Table 2.1 – List of Instruments by Laboratory Group

Laboratory Instrument Model Software Output Files Available

Organics GC/MS AGILENT VOA Agilent 7890B/5977A MassHunter; Chemstation

MassHunter_524THM.csv and MassHunter_524THM.pdf, Chemstation_8260.txt, Chemstation_gas.txt

Organics GC/MS AGILENT VOA II Agilent 7890B/5977A MassHunter; Chemstation

MassHunter_524THM.csv and MassHunter_524THM.pdf, Chemstation_8260.txt, Chemstation_gas.txt

Organics GC/MS THERMO ISQ Trace 1300 GC/ISQ MS TraceFinder 3.5.2 TraceFinder_525.prn and TraceFinder_525.xlsx, TraceFinder_548.prn and TraceFinder_548.xlsx, TraceFinder_625.prn and TraceFinder_625.xlsx, TraceFinder_Diesel.prn and TraceFinder_Diesel.xlsx

Organics GC/MS THERMO ISQ 2 Trace 1300 GC/ISQ MS TraceFinder 4.1 TraceFinder_8270.prn and TraceFinder_8270.xlsx

Organics GC/MS VARIAN 240 Varian 240 Chemstation Organics GC/MS/MS THERMO

TSQ Thermo TSQ EVO TraceFinder 4.1 TraceFinder_521.prn and

TraceFinder_521.xlsx, TraceFinder_Geosmin.prn and TraceFinder_Geosmin.xlsx

Organics GC TRACE ULTRA Thermo Trace GC Ultra TotalChrom 6.3.2 TotalChrom_552.TX0 and TotalChrom_608.TX0

Organics GC TRACE 2000 Thermo Trace GC 2000 with ECD

TotalChrom 6.3.2 TotalChrom_552.TX0 and TotalChrom_608.TX0

Organics GC ECD 1 Thermo Trace 1300 with ECD

Chromeleon 7.2.7 None available yet

Organics GC ECD 2 Thermo Trace 1300 with ECD

Chromeleon 7.2.7 None available yet

Organics IC COMPACT METROHM

Metrohm 930 Compact IC MagicNet 3.1 MagicNet_300anions.csv

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Laboratory Instrument Model Software Output Files Available

Organics IC SYSTEM METROHM Metrohm 850 Professional IC

MagicNet 3.1 MagicNet_300anions.csv

Organics IC TOC 1030 OI Analytical 1030W TOC Analyzer

ATOC ATOC.txt

Inorganics AUTOTITRATOR METROHM

METROHM 905 Metrohm Tiamo 2.4 Build 109

Metrohm_Results.csv

Inorganics SEGMENTED FLOW Skalar San++ 5000 FlowAccess V3, version 3.2.1

skalar text.txt and skalar excel.xls

Inorganics SPEC. UV/VIS AGILENT Cary 60 UV-Vis Cary WinUV V5.0.0999

PO4 test export.csv

Metals HG ANALYZER TEKRAN TEKRAN 2600 Tek MDS 2.5, version 2.5.1.623

tekran 1631.csv and tekran 1631.xls

Metals HG LEEMAN HYDRA II Leeman Hydra II AA Envoy 2.0, version 6.1

Hg_hydraIIAA.CSV

Metals ICP PE OPTIMA 5300DV PERKIN ELMER OPTIMA 5300DV

WinLab 32, version 5.4.0.0687

ICP_200_7 Upload File.csv

Metals ICP-MS AGILENT 7900 AGILENT 7900 MassHunter, version C.01.03 Build 505.6 Patch 1

ICPMS.csv and ICPMS.txt

Metals SPEC. FLRSC. VARIAN VARIAN CARY ECLIPSE Cary Eclipse Concentration V1.2(146)

Spec_Fluorometer_upload file.csv

Biology GEL IMAGING SYSTEM BIORAD GELDOC XR+ Image Lab 6.0 Biology SKALAR SP-20003 Skalar Robotics 1.8 Bod Skalar export file.txt, BOD

skalar export file as excel.xls Biology MICROPLATE READER Thermo-Fisher Multiskan

FC (cat.# 51119000) SkanIt 4.0

Balances BALANCE OHAUS 2 EX224 Explorer Balance OHaus - WG220338.xlsx

Balances BALANCE PG 603-S METTLER PG 603-S Balance PG - WG220216.xlsx Balances BALANCE PM1200 METTLER PM1200 Balances BALANCE AT 250 METTLER AT 250

GREY: These instruments are planned to be obsolete by FY19.

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I N S T R U M E N T I N T E G R AT I O N D E TA I L S Each instrument discussed below will be grouped by the Laboratory Group (e.g. Organics, Inorganics, Metals and Biology). All of the information for each instrument will be discussed by Laboratory Group.

1.3 Organics

GC/MS AGILENT VOA 1.3.1

1.3.1.1 Supported Methods The GC/MS Agilent VOA is primarily used for the 524.4 and 524.2 methods. This instrument is a backup for the GC/MS Agilent VOA II and both are certified on all methods (i.e. 524.4, 524.2, 624, 8260B and Gasoline). The information and example output file provided is for the 524.4 method.

1.3.1.2 Current Integration The GC/MS Agilent VOA is connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently integrated but it requires some manual manipulation of the output file generated by the instrument software. The output file is opened and commas are removed before it is released for upload.

After the output file has been cleaned, the file is dropped/copied into a designated folder and processed by a parsing script developed specifically for the output file. Multiple parameters are carried in two fields (i.e. Sample Name and Comment) within the output file. The ‘Sample Name’ field carries the following:

• ID • Sample Volume • Spike Volume

The ‘Comment’ field carries the following:

• Batch Number • Spike Lot Reference • Test Name

In addition to these values, the Dilution Factor, Analysis Date and Time are also passed in the output file. Two additional parameters (i.e., Instrument and Analyst) currently do not exist in the output file and will need to be added in the future, these are. The Instrument parameter can be obtained in the

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future by the script used to process the output file, but the Analyst parameter will need to be added on the instrument.

The instrument currently calculates the Internal Standard and Surrogate % recoveries; no calculations are currently performed manually or in an Excel spreadsheet. The current LIMS performs all related % recoveries and RPDs. All Quality Control data is currently included in the output file and uploaded into LIMS.

1.3.1.3 Output File Example

An example of the actual output file (before and after manipulation) will be made available to vendors. This snap shot shows how the targeted fields (e.g. Analysis Date/Time, Analyst Name, Sample ID, Sample Volume, Spike Volume, Batch Number, Spike Reference, Test, Final Concentration [Result] and Dilution Factor) are available in the current output file.

1.3.1.4 Future Integration The example file shows the actual manipulated structure after the commas have been removed to separate the multiple parameters passed in the ‘SampleName’ and ‘Comment’ field. In order to avoid manual manipulation of the output file, the output file should be modified to separate the parameters into individual column(s) or address the commas within the new parsing script if a new output file cannot be structured. The other required information clearly can be obtained from the current output file if it is entered at the instrument level. It appears that the ‘Analyst Name’ is populated based on the login (e.g. ‘EBMUD\tc’); this should be easily replaced with an ID or the LIMS user ID. In the future, the sequence could be generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software.

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This will require the new LIMS to follow standard Quality Control rules based on sequence size and maintain the naming conventions for all QC which is a standard feature in most LIMS available today.

GC/MS AGILENT VOA II 1.3.2

1.3.2.1 Supported Methods The GC/MS Agilent VOA II is currently a backup instrument for the GC/MS Agilent VOA, both instruments are certified on all methods (i.e. 524.4, 524.2, 624, 8260B and Gasoline), but it is primarily used for 624, 8260B and Gasoline. The information provided is for the 8260B method.

1.3.2.2 Current Integration The GC/MS Agilent VOA II is connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently integrated but it requires some manual manipulation of the output file generated by the instrument software. The output file is opened and commas are removed before it is released for upload.

After the output file has been cleaned, the file is dropped/copied into a designated folder and processed by a parsing script developed specifically for the output file. Multiple parameters are carried in two fields (i.e. Sample and Misc) within the output file. The ‘Sample’ field carries the following:

• ID • Sample Volume • Spike Volume

The ‘MISC’ field carries the following:

• Batch Number • Spike Lot Reference • Test Name

In addition to these values, the Dilution Factor, Analysis Date and Time are also passed in the output file. Two additional parameters (i.e., Instrument and Analyst) currently do not exist in the output file and will need to be added in the future, these are. The Instrument parameter can be obtained in the future by the script used to process the output file, but the Analyst parameter will need to be added on the instrument.

The instrument currently calculates the Internal Standard and Surrogate % recoveries; no calculations are currently performed manually or in an Excel spreadsheet. The current LIMS performs all related %

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recoveries and RPDs. All Quality Control data is currently included in the output file and uploaded into LIMS.



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1.3.2.4 Future Integration The example file shows the actual manipulated structure after the commas have been removed to separate the multiple parameters passed in the ‘Sample’ and ‘Misc’ field. In order to avoid manual manipulation of the output file, the output file should be modified to separate the parameters into individual column(s) or address the commas within the new parsing script if a new output file cannot be structured. The other required information clearly can be obtained from the current output file if it is entered at the instrument level. In the future, the sequence could be generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software. This will require the new LIMS to follow standard Quality Control rules based on sequence size and maintain the naming conventions for all QC which is a standard feature in most LIMS available today.

GC/MS THERMO ISQ 1.3.3

1.3.3.1 Supported Methods The GC/MS THERMO ISQ is currently used the following methods (i.e. 525, 548 and 625), the information provided is listed under GC/MS THERMO ISQ 2. The output files from the instrument are released as PRN files and the structure is the same for all three methods so a single parsing script could be used for all three methods.

1.3.3.2 Current Integration The GC/MS THERMO ISQ is connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently integrated and no manipulations are required to the output file. The file is however converted to an Excel for review and reporting.

After the output file has been reviewed, it is printed for the records and moved into a designated folder and processed by a parsing script developed specifically for the output file. Multiple parameters are carried in two fields (i.e. Sample Name and Misc) within the output file. The ‘Sample Name’ field carries the following:

• Sample ID • Type • Spike Volume • Method • Volume • Dilution Factor

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• Unknown/Undefined

The ‘MISC’ field carries the following: • Batch Number (Workgroup ID) • Test Name • Matrix

In addition to these values, the Analysis Date and Time are also passed in the output file. Two additional parameters (i.e., Instrument and Analyst) currently do not exist in the output file and will need to be added in the future, these are. The Instrument parameter can be obtained in the future by the script used to process the output file, but the Analyst parameter will need to be added on the instrument.


GC/MS THERMO ISQ 2 1.3.4

1.3.4.1 Supported Methods The GC/MS THERMO ISQ 2 is currently used the following methods (i.e. DiMO and 8270), the information provided is for the 8270 method. The output files from the instrument are released as PRN files and the structure is the same for both methods so a single parsing script could be used for the two methods. It also appears that the file structure matches those for the GC/MS THERMO ISQ methods (i.e. 525, 548 and 625), so a shared parsing script could be utilized for these five methods.

1.3.4.2 Current Integration The GC/MS THERMO ISQ 2 is connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently integrated and no manipulations are required to the output file. The file is however converted to an Excel for review and reporting.


• Sample ID

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• Type • Spike Volume • Method • Volume • Dilution Factor • Unknown/Undefined


• Batch Number • Test Name • Matrix

In addition to these values, Analysis Date and Time are also passed in the output file. Two additional parameters (i.e., Instrument and Analyst) currently do not exist in the output file and will need to be added in the future, these are. The Instrument parameter can be obtained in the future by the script used to process the output file, but the Analyst parameter will need to be added on the instrument.

The instrument currently calculates the Internal Standard Surrogate % recoveries; no calculations are currently performed manually or in an Excel spreadsheet. The current LIMS performs all related % recoveries and RPDs. All Quality Control data is currently included in the output file and uploaded into LIMS.

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1.3.4.4 Future Integration The example file shows the actual manipulated structure after the commas have been removed to separate the multiple parameters passed in the ‘Sample’ and ‘Misc’ field. In order to avoid manual manipulation of the output file, the output file should be modified to separate the parameters into individual column(s) or address the commas within the new parsing script if a new output file cannot be structured. The other required information clearly can be obtained from the current output file if it is entered at the instrument level. In the future the sequence could be generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software. This will require the new LIMS to follow standard Quality Control rules based on sequence size and maintain the naming conventions for all QC which is a standard feature in most LIMS available today.

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GC/MS VARIAN 240 1.3.1

1.3.1.1 Supported Methods The GC/MS VARIAN 240 is currently used for the Geosmin method. The output file is limited in what information is currently available.

1.3.1.2 Current Integration The GC/MS THERMO VARIAN 240 is connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently not integrated and data is uploaded into LIMS by DEM. After the analysis is completed, the analyst prints out a quantitation report, opens the DEM utility, selects/enters a workgroup and transcribes the data into the appropriate columns manually.

The instrument currently calculates for Surrogate % recovery and the concentrations of QC and samples. The analyst has to manually calculate the % Recoveries for the internal standards. The current LIMS performs all related % recoveries and RPDs. All Quality Control data is currently included in the output file and uploaded into LIMS through the DEM utility.

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An example of the actual output file will be made available to vendors. This snap shot shows how the targeted fields (e.g. Analysis Date/Time, Analyst Name, Sample ID, Test and Final Concentration [Result] are available in the current output file. The additional information needed does not appear to be available in the output file at this time. An investigation will need to be made to determine if it can be added and the output file modified.

1.3.1.4 Future Integration The example file shows that additional work will be required to integrate this instrument in the future. In the future the sequence could be generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software. This will require the new LIMS to follow standard Quality Control rules based on sequence size and maintain the naming conventions for all QC which is a standard feature in most LIMS available today.

GC/MS THERMO TSQ 1.3.2

1.3.2.1 Supported Methods The GC/MS THERMO TSQ is currently used the following methods (i.e. 521, Geosmin), the information provided is for the 521 method. The output files from the instrument are released as PRN files and the

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structure is the same as those previously discussed for the GC/MS THERMO ISQs, so a shared parsing script could be utilized for this instrument and method.

1.3.2.2 Current Integration The GC/MS THERMO TSQ is connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently integrated and no manipulations are required to the output file. The file is however converted to an Excel for review and reporting.


• Sample ID • Type • Spike Volume • Method • Volume • Dilution Factor • Unknown/Undefined


• Batch Number (Workgroup ID) • Test Name • Matrix



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An example of the actual output file will be made available to vendors. This snap shot shows how the targeted fields (e.g. Analysis Date/Time, Analyst Name, Sample ID, Sample Volume, Spike Volume, Batch Number, Spike Reference, Test, Final Concentration [Result] and Dilution Factor) are available in the current output file.

1.3.2.4 Future Integration The example file shows the actual structure after the file is saved as formatted text to handle the multiple parameters passed in the ‘Sample Name’ and ‘Misc’ field. In order to avoid manual manipulation of the output file, the output file should be modified to separate the parameters into individual column(s) or address the commas within the new parsing script if a new output file cannot be structured. The other required information clearly can be obtained from the current output file if it is entered at the instrument level. In the future the sequence could be generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software. This will require the new LIMS to follow standard Quality Control rules based on sequence size and maintain the naming conventions for all QC which is a standard feature in most LIMS available today.

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GC TRACE ULTRA 1.3.3

1.3.3.1 Supported Methods The GC TRACE ULTRA is currently used the following methods (i.e. 504, 508, 515, 552, 608, 8081 and 8082), the information provided is for the 608 method. The output files from the instrument are released as TXO files which is a TotalChrom text file. Based on the information provided, the other methods produce an output file with the same structure. However, only the 552 and 608 methods currently utilize the parsing script.

1.3.3.2 Current Integration The GC TRACE ULTRA is connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently integrated and some manipulations may be required to the output file if results from confirmation column vary by > 40%.

After the output file has been reviewed, it is printed for the records and moved into a designated folder and processed by a parsing script developed specifically for the output file. Multiple parameters are carried in two fields (i.e. Sample Name and Study) within the output file. The ‘Sample Name’ field carries the following:

• Sample ID • Unknown/Undefined • Spike Volume • Sample Volume • Dilution Factor

The ‘Study’ field carries the following:

• Method • Unknown/Undefined


The instrument currently calculates internal standard and Surrogate % recovery and the results; no calculations are currently performed manually or in an Excel spreadsheet. The current LIMS performs all related % recoveries and RPDs. All Quality Control data is currently included in the output file and uploaded into LIMS.

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An example of the actual output file will be made available to vendors. This snap shot shows how the targeted fields (e.g. Analysis Date/Time, Analyst Name, Sample ID, Sample Volume, Spike Volume, Spike Reference, Test, Final Concentration [Result] and Dilution Factor) are available in the current output file. I could not identify the ‘Batch Number’ in the output file which is passed in other files, if not this will possibly need to be entered.

1.3.3.4 Future Integration This instrument is planned to be obsolete by FY19 and replaced by Trace 1300 GC ECD 1.

GC TRACE 2000 1.3.4

1.3.4.1 Supported Methods The GC TRACE 2000 is currently used the following methods (i.e. 504, 508, 515, 552, 608, 8081 and 8082), the information provided is for the 552 method. The output files from the instrument are released as TXO files which is a TotalChrom text file. Based on the information provided, the other methods produce an output file with the same structure. However, only the 552 and 608 methods currently utilize the parsing script.

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1.3.4.2 Current Integration The GC TRACE 2000 is connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently integrated and some manipulations may be required to the output file if a qualifier is required based on variance from calibration (i.e. Quant within 40% difference from Confirmation).

After the output file has been reviewed, it is printed for the records and moved into a designated folder and processed by a parsing script developed specifically for the output file. Multiple parameters are carried in two fields (i.e. Sample Name and Study) within the output file. The ‘Sample Name’ field carries the following:

• Sample ID • Unknown/Undefined • Spike Volume • Sample Volume • Dilution Factor


• Method • Unknown/Undefined

In addition to these values, the Analysis Date and Time are also passed in the output file. Two additional parameters are needed that currently do not exist in the output file and will need to be added in the future, these are Instrument and Analyst. The instrument can be obtained in the future by the script used to process the output file, but analyst will need to be added on the instrument instead of the current login (Operator).

The instrument currently calculates the results only; no calculations are currently performed manually or in an Excel spreadsheet. The current LIMS performs all related % recoveries and RPDs. All Quality Control data is currently included in the output file and uploaded into LIMS.

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An example of the actual output file will be made available to vendors. This snap shot shows how the targeted fields (e.g. Analysis Date/Time, Analyst Name, Sample ID, Sample Volume, Spike Volume, Spike Reference, Test, Final Concentration [Result] and Dilution Factor) are available in the current output file. I could not identify the ‘Batch Number’ in the output file which is passed in other files, if not this will possibly need to be entered.

1.3.4.4 Future Integration This instrument is planned to be obsolete by FY19 and replaced by Trace 1300 GC ECD 2.

GC ECD 1 & GC ECD 2 1.3.5

1.3.5.1 Supported Methods The GC ECD 1 & GC ECD 2 instruments are replacing the GC TRACE ULTRA and GC TRACE 2000 instruments. The planned methods will include 504, 508, 515, 552, and 608; methods 8081 and 8082 are still under consideration. Available output files include: PDF, TXT, XLS, GAML, CDF (CSV), CMBX, and RAW.

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1.3.5.2 Current Integration These instruments are in the early setup and test stage at this time, and will move forward after a new LIMS is selected. These instruments are connected to a vendor provided PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument.

1.3.5.3 Output File Example An example of the actual output file will be made available to vendors.

1.3.5.4 Future Integration For GC-ECD instrument, integration with future LIMS should include ability to upload, assess and qualify data from both the quantitation and confirmation column. Most importantly, the LIMS upload should be able to track whether analyte results from the quantitation column is qualitatively verified by detection of same analyte in the confirmation column. In the future the sequence could be generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software. This will require the new LIMS to follow standard Quality Control rules based on sequence size and maintain the naming conventions for all QC which is a standard feature in most LIMS available today.

IC TOC 1030 1.3.6

1.3.6.1 Supported Methods The IC TOC 1030 is currently used the 5310C method. The output file from the instrument is released as TXT file.

1.3.6.2 Current Integration The IC TOC 1030 is connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently integrated but manual manipulations are required to the output file before the output file is processed into LIMS. After the output file has been reviewed and manually modified, it is printed for the records and moved into a designated folder and processed by a parsing script developed specifically for the output file. Multiple parameters are carried in two fields (i.e. Sample ID and Comments) within the output file. The ‘Sample Name’ field carries the following:

• Sample ID • Dilution Factor • Spike Volume

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• Spike Lot In addition to these values, the Analysis Date and Time are also passed in the output file. Two additional parameters (i.e., Instrument and Analyst) currently do not exist in the output file and will need to be added in the future, these are. The Instrument parameter can be obtained in the future by the script used to process the output file, but the Analyst parameter will need to be added on the instrument. The instrument currently calculates the results only; no calculations are currently performed manually or in an Excel spreadsheet. The current LIMS performs all related % recoveries and RPDs. All Quality Control data is currently included in the output file and uploaded into LIMS.


An example of the actual output file will be made available to vendors. This snap shot shows how the targeted fields (e.g. Analysis Date/Time, Analyst Name, Sample ID, Sample Volume, Spike Volume, Spike Reference, Test, Final Concentration [Result] and Dilution Factor) are available in the current output file. The ‘Batch Number’ is available in the file name of the output file. It should be noted at this time, that during the manual manipulation of the output file the dilutions are applied against the results by hand.

1.3.6.4 Future Integration The example file shows the actual structure after the file is saved as formatted text to handle the multiple parameters passed in the ‘Sample ID’ and ‘Comment’ field. In order to avoid manual manipulation of the output file, the output file should be modified to separate the parameters into individual column(s) or addressed within the new parsing script if a new output file cannot be structured. The other required information clearly can be obtained from the current output file if it is entered at the instrument level. Also, the adjustments required due to dilutions could be handled in the new LIMS. In the future the sequence could be generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software.

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IC SYSTEM METROHM and IC COMPACT METROHM 1.3.7

1.3.7.1 Supported Methods The IC SYSTEM METROHM and IC COMPACT METROHM will be discussed together since they are identical in all aspects. Both are currently used the following methods (i.e. 300.1, 314 and VFA), the method discussed below will be 300.1. The output file from both instrument are released as a CSV file although multiple formats are supported including XML.

1.3.7.2 Current Integration The IC SYSTEMS METROHM and IC COMPACT METROHM are connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to either instrument. The analyst builds the sequence on the instruments either from scratch or modifying a recent sequence file saved on the instruments. The instruments are currently integrated with no manipulations required to the output files. After the output file has been reviewed it is saved and moved into a designated folder and processed by a parsing script developed specifically for the output file. Both output files utilizes three ‘Info’ fields to pass additional information into LIMS. These three fields and their data are:

• Info 1: Workgroup ID (Batch ID) • Info 2: Spike Volume • Info 3: Spike Lot

In addition to these, the ‘Ident’ column carries the Sample ID and Sample Type. The Analysis Date and Time are defined in the ‘Determination Start’. Two additional parameters (i.e., Instrument and Analyst) currently do not exist in the output file and will need to be added in the future, these are. The Instrument parameter can be obtained in the future by the script used to process the output file, but the Analyst parameter will need to be added on the instrument. The instrument software is unable to report results by average Response Factor (RF) calibration. The instrument currently calculates the results and % recoveries for standards; no calculations are currently performed manually or in an Excel spreadsheet. The current LIMS performs all related % recoveries and RPDs. All Quality Control data is currently included in the output file and uploaded into LIMS.

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An example of the actual output files will be made available to vendors. This snap shot shows how the targeted fields identified above exist in the output file. The output file example contained a single sample with each ‘Component Name and Result’ running across on a single row. The assumption is that multiple samples would each be represented in a single row.

1.3.7.4 Future Integration The example file shows the actual structure after the file is saved and ready for processing. The multiple parameters passed in the ‘Ident’ field should be separated into individual column(s) or addressed within the new parsing script if a new output file cannot be structured. The other required information clearly can be obtained from the current output file if it is entered at the instrument level. In the future the sequence could be generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software. This will require the new LIMS to follow standard Quality Control rules based on sequence size and maintain the naming conventions for all QC which is a standard feature in most LIMS available today. Because of software limitations with average Response Factor (RF) calibration, future integration for the Metrohm instruments should be able to upload, perform and store instrument calibration by average RF. Following that, the LIMS should be able to calculate results from peak areas. When using linear regression, calibration can be done either in the Metrohm software or in LIMS.

1.4 Metals

HG ANALYZER TEKRAN 1.4.1

1.4.1.1 Supported Methods The HG ANALYZER TEKRAN is currently used the Low Level Mercury method 1631. The instrument output file is limited in what information is currently available and requires that the CSV file be loaded into an MS Excel spreadsheet for results calculations.

1.4.1.2 Current Integration The HG ANALYZER TEKRAN is connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the

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instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently integrated using the DEM utility but the data requires manual manipulation before the file can be uploaded into LIMS. The analyst prints out the report from the instrument, opens MS Excel and transcribes the results into a calculation spreadsheet designed specifically for the instrument. Once the data is transcribed including dilution factors, the results are calculated. After the output file has been transcribed into the DEM utility it is moved into a designated folder and processed by a parsing script developed specifically for the structure of the DEM template. All of the required fields are entered in the template during the transcription. Based on the output file it appears that no calculations are performed on the instrument. Currently all calculations are done in the MS Excel spreadsheet. All Quality Control data is currently included in the output file and uploaded into LIMS through the DEM utility.


An example of the actual output file and the MS Excel spreadsheet that performs the calculations will be made available to vendors. The output file contains limited information and currently the bulk of the work is performed in the MS Excel spreadsheet. The additional information needed does not appear to be available in the output file at this time. An investigation will need to be made to determine if it can be added and calculations moved into LIMS based on the data provided from the instrument.

1.4.1.4 Future Integration The example file shows that additional work will be required if this instrument is to be integrated in the future. In order to avoid manual entry into LIMS the missing information will be needed. In the future the sequence could be generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software.

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HG LEEMAN HYDRA II 1.4.1

1.4.1.1 Supported Methods The HG LEEMAN HYDRA II is currently used for the following methods (i.e. 245.1, 7470 and 7471 [Solids]). All of the methods produce an output file with the same structure. The instrument output file contains the average results calculated by the instrument.

1.4.1.2 Current Integration The HG LEEMAN HYDRA II is connected to a PC which is not currently connected to the EBMUD network. A connection is made manually to move the file onto the network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently integrated using the DEM utility but the process currently includes an MS Excel step to organize and facilitate data review. The analyst prints out the report from the instrument, opens MS Excel and transcribes the results into a spreadsheet designed specifically for the instrument only for organization and review. Once the data has been reviewed and organized, the analyst opens the DEM utility, selects/enters a workgroup and transcribes the data into the appropriate columns manually. After the output file has been transcribed into the DEM utility it is moved into a designated folder and processed by a parsing script developed specifically for the structure of the DEM template. All of the required fields are entered in the template during the transcription. Based on the output file it appears that no additional calculations are performed on the instrument. All Quality Control data is currently included in the output file and uploaded into LIMS through the DEM utility.

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An example of the actual output file and the MS Excel spreadsheet used for review and organization will be made available to vendors. The output file contains limited information and currently the bulk of the fields required are entered in the DEM transcription step. The additional information needed does not appear to be available in the output file at this time. Currently the following fields are manually entered into the DEM template (Bold Values exist in output file):

• Sample ID • Result • Sample Volume • Spike Volume • Spike Lot • Dilution Factor • Run Date and Time • MDL

An investigation will need to be made to determine if it can be added at the instrument level.

1.4.1.4 Future Integration The example file shows that additional work will be required if this instrument is to be integrated in the future. In order to avoid manual entry into the MS Excel spreadsheet for the organization/review step and into the DEM utility which picks up some additional fields after the Workgroup Id is selected. In the future the sequence could be generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software.

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ICP PE OPTIMA 5300DV 1.4.2

1.4.2.1 Supported Methods The ICP PE OPTIMA 5300DV is currently used the following methods (i.e. 200.7 and 6010 [Solids]); the method discussed below will be 200.7. The output file is released as a CSV file although the instrument also supports a TXT format.

1.4.2.2 Current Integration The ICP PE OPTIMA 5300DV is connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently integrated with manipulations required to the output file. At this time, the analyst modifies the QC names within the file and indicates whether the ‘Axil’ or ‘Radial’ value is to be used by marking the designated column (View) with a ‘1’ or ‘0’. The parsing script takes the highest value during the uploading process. After the output file has been reviewed and manipulated it is saved and moved into a designated folder and processed by a parsing script developed specifically for the output file. The output file utilizes four ‘User Value’ fields to pass additional information into LIMS. These four fields and their data are:

• User Value 1: Matrix/Sample Size/Spike Volume • User Value 2: Spike Lot • User Value 3: Batch ID (Workgroup Id) • User Value 4: Method

In addition to these, the Dilution, Actual Sample Size Prepped, and Final Diluted Sample Volume are entered in the comment column (not seen in below output file example). Currently, the parsing script for the output file does not include the Aliquot Vol and Diluted To Vol columns, but should be included in future LIMS. Two additional parameters are needed that currently do not exist in the output files and will need to be added in the future, these are Instrument and Analyst. The instrument can be obtained in the future by the script used to process the output file, but analyst will need to be added on the instrument.

The instrument currently calculates the results and % recoveries for standards; no calculations are currently performed manually or in an Excel spreadsheet. The current LIMS performs all related %

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recoveries and RPDs. All Quality Control data is currently included in the output file and uploaded into LIMS.


An example of the actual output files will be made available to vendors. This snap shot shows how the targeted fields identified above exist in the output file. The output file example contains the bulk of the required fields except those identified above.

1.4.2.4 Future Integration The example file shows the actual structure after the file has been manipulated, saved and ready for processing. The multiple parameters passed in the ‘User Value 1’ field should be separated into individual column(s) or addressed within the new parsing script if a new output file cannot be structured. The other required information clearly can be obtained from the current output file if it is entered at the instrument level. In the future the sequence could be generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software. This will require the new LIMS to follow standard Quality Control rules based on sequence size and maintain the naming conventions for all QC which is a standard feature in most LIMS available today.

ICP-MS AGILENT 7900 1.4.3

1.4.3.1 Supported Methods The ICP-MS AGILENT 7900 is currently used for the following methods (i.e. 200.8 and 6020 [Solids]). All of the methods produce an output file with the same structure. The instrument output file contains most of the parameters that are required.

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1.4.3.2 Current Integration The ICP-MS AGILENT 7900 is connected to a PC which is not currently connected to the EBMUD network. A connection is made manually to move the file onto the network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently integrated with some manipulations required to the output file related to dilutions; typically no manual manipulation is required. The analyst selects the desired results that are to be uploaded; the output file is generated with these values. If no manipulation is required, it is saved and moved into a designated folder and processed by a parsing script developed specifically for the output file. Multiple parameters are carried in the in the ‘Misc. Info or Comment’ field. These include the following:

• Method • Matrix • Sample Size • Spike Volume

In addition to these values, two additional parameters are needed that currently do not exist in the output file and will need to be added in the future, these are Instrument and Analyst. The instrument can be obtained in the future by the script used to process the output file, but analyst will need to be added on the instrument. The instrument currently calculates the results and % recoveries for standards, RPDs and Linear Range; no calculations are currently performed manually or in an Excel spreadsheet. The current LIMS performs all related % recoveries and RPDs. All Quality Control data is currently included in the output file and uploaded into LIMS.


An example of the actual output file will be made available to vendors. The snap shot shows how the targeted fields (e.g. Sample Name, Analysis Date/Time, Batch Name, Sample Volume, Dilution Factor

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and Concentration [Result] are available in the current output file. An investigation will need to be made to determine if the additional fields can be added at the instrument level.

1.4.3.4 Future Integration The example file shows the actual structure after the file is saved and ready for processing. The multiple parameters passed in the ‘Misc. Info or Comment’ field should be separated into individual column(s) or addressed within the new parsing script if a new output file cannot be structured. The other required information clearly can be obtained from the current output file if it is entered at the instrument level. In the future the sequence could be generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software. This will require the new LIMS to follow standard Quality Control rules based on sequence size and maintain the naming conventions for all QC which is a standard feature in most LIMS available today.

SPEC. FLRSC. VARIAN 1.4.4

1.4.4.1 Supported Methods The SPEC. FLRSC. VARIAN is currently used for the Chlorophyll 10200H method. The output file format is very complex and will require examples of both raw and modified outputs to build a working parsing script. The instrument output file contains most of the parameters that are required.

1.4.4.2 Current Integration The SPEC. FLRSC. VARIAN is connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently integrated with two manipulations to the output file; the final R value and the calibration curve slope is manually added to the output file. After these are entered, it is saved and moved into a designated folder and processed by a parsing script developed specifically for the output file. During the instrument mapping sessions the laboratory indicated that a single modification was made to the output file, upon review the Analyst is not in the example provided. There are two possible entry points, ‘Operator Name’ and ‘Operator’. The instrument can be obtained in the future by the script used to process the output file, but analyst will need to be added on the instrument. The instrument currently calculates only the result values, all other calculations are performed in LIMS. The current LIMS performs all related % recoveries and RPDs. All Quality Control data is currently included in the output file and uploaded into LIMS.

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An example of the actual output file will be made available to vendors. The snap shot above represents a heavily edited version in an attempt to show the targeted fields. An investigation will need to be made to determine if the additional fields can be added at the instrument level.

1.4.4.4 Future Integration The example file shows the actual structure after the file is saved and ready for processing. Based on the information provided, the required information clearly can be obtained from the current output file if it is entered at the instrument level. In the future the sequence could be generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software. This will require the new LIMS to follow standard Quality Control rules based on sequence size and maintain the naming conventions for all QC which is a standard feature in most LIMS available today.

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1.5 Inorganics

AUTOTITRATOR METROHM 1.5.1

1.5.1.1 Supported Methods The AUTOTITRATOR METROHM is currently used Acidity (Alkalinity and Volatile Acid Titrations) method. The output file contains most of the information and requires no manipulation.

1.5.1.2 Current Integration The AUTOTITRATOR METROHM is connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently integrated and no manipulations are required to the output file. The method of integration is through the use of internal tool (DEM). After the analysis is completed, the analyst prints out a report, opens the DEM utility, selects/enters a workgroup and transcribes the data into the appropriate columns manually. The output file can be generated in multiple formats (i.e. CSV (2 Formats), SLK or MDef). The preferred format at this time is CSV. After the output file has been transcribed into the DEM utility it is moved into a designated folder and processed by a parsing script developed specifically for the structure of the DEM template. During the instrument mapping sessions the laboratory indicated that no modifications was made to the output file, upon review the Analyst is not in the example provided. The ‘User’ field could carry the Analyst and the instrument can be obtained in the future by the script used to process the output file. Possibly these values are currently entered in the template during the transcription into DEM. The instrument currently calculates only the result concentrations for all samples. No calculations are performed manually or within an MS Excel spreadsheet. The current LIMS performs all related % recoveries and RPDs. All Quality Control data is currently included in the output file and uploaded into LIMS through the DEM utility.

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An example of the actual output file will be made available to vendors. This snap shot shows how the targeted fields (e.g. Analysis Date/Time, Analyst Name, Sample ID, Test and Final Concentration [Result] are available in the current output file. The additional information needed does not appear to be available in the output file at this time. An investigation will need to be made to determine if it can be added and the output file modified.


SPEC. UV/VIS AGILENT 1.5.2

1.5.2.1 Supported Methods The SPEC. UV/VIS AGILENT is currently used for the following methods (i.e. COD, Phenols, TPhos, Ortho, Cyanide, UV254, CR6, Ammonia and others). The output file contains most of the information and requires no manipulation.

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1.5.2.2 Current Integration The SPEC. UV/VIS AGILENT is connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently integrated and no manipulations are required to the output file. The method of integration is through the use of internal tool (DEM). After the analysis is completed, the analyst prints out a report, opens the DEM utility, selects/enters a workgroup and transcribes the data into the appropriate columns manually. The output file can be generated in multiple formats (i.e. CSV (2 Formats), SLK or MDef). The preferred format at this time is CSV.

After the output file has been transcribed into the DEM utility it is moved into a designated folder and processed by a parsing script developed specifically for the structure of the DEM template. During the instrument mapping sessions the laboratory indicated that no modifications was made to the output file, upon review the Analyst is not in the example provided. The ‘User Name’ field could carry the Analyst and the instrument can be obtained in the future by the script used to process the output file. Possibly these values are currently entered in the template during the transcription into DEM. The instrument currently calculates only the result concentrations for all samples. No calculations are performed manually or within an MS Excel spreadsheet. The current LIMS performs all related % recoveries and RPDs. All Quality Control data is currently included in the output file and uploaded into LIMS through the DEM utility.

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An example of the actual output file will be made available to vendors. The snap shot above represents a heavily edited version in an attempt to show the targeted fields. An investigation will need to be made to determine if the additional fields can be added at the instrument level.


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SEGMENTED FLOW 1.5.3

1.5.3.1 Supported Methods The SEGMENTED FLOW is currently targeted for the following methods (i.e. Phenols, 0-PO4, Cyanide, Ammonia, TKN and T-Phos). The instrument is currently in test mode and not in production.

1.5.3.2 Current Integration The SEGMENTED FLOW is connected to a PC (Provided by Vendor) which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or modifying a recent sequence file saved on the instrument. The instrument is currently not integrated with plans to integrate after a new LIMS is selected. The instrument currently performs all calculations required. The LIMS will be expected to calculate all related % recoveries and RPDs. All Quality Control data will be included in the output file for uploaded into LIMS.


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1.5.3.4 Future Integration This instrument is in the early setup and test stage at this time, and will move forward after a new LIMS is selected. At that time, the vendor will be provided with the various output formats available with hopes that they can assist the laboratory with both the best output format and structure to meet the laboratory’s needs. In addition to the standard needs, the laboratory indicated that the output file will also need to pass the R Squared value into LIMS for needed calculations. The laboratory also would like to push a sequence generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software. This will require the new LIMS to follow standard Quality Control rules based on sequence size and maintain the naming conventions for all QC which is a standard feature in most LIMS available today.

1.6 Biology

SKALAR 1.6.1

1.6.1.1 Supported Methods The SKALAR is currently used for both BOD and CBOD methods. The instrument output file is limited in what information is currently available and requires that the CSV file be loaded into an MS Excel spreadsheet for results calculations.

1.6.1.2 Current Integration The SKALAR is connected to a PC (Vendor provided) which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence on the instrument either from scratch or imports/modifies a recent sequence template file saved on the instrument. The instrument is currently integrated using the DEM utility but the data requires manual verification/ manipulation before the file can be uploaded into LIMS. The analyst prints out the report from the instrument, opens MS Excel and transcribes the results into a calculation spreadsheet designed specifically for the instrument. The analyst identifies samples that meet method acceptable criteria and enters data into MS Excel spreadsheet. Once the data is transcribed, calculation is performed to identify results that require flags. After the calculations are completed, the analyst opens the DEM utility, selects/enters a workgroup and transcribes the data into the appropriate columns manually. After the output file has been transcribed into the DEM utility it is moved into a designated folder and processed by a parsing script developed specifically for the structure of the DEM template. All of the required fields are entered in the template during the transcription.

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The instrument calculates the averages for the samples, which is the only calculation required at the instrument level. Additional calculations are done in the MS Excel spreadsheet. All Quality Control data is currently included in the output file and uploaded into LIMS through the DEM utility.


An example of the actual output file and the MS Excel spreadsheet that performs the calculations will be made available to vendors. The output file contains the information required for the MS Excel spreadsheet step. The additional information needed does not appear to be available in the output file at this time. An investigation will need to be made to determine if it can be added and calculations moved into LIMS based on the data provided from the instrument.

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1.6.1.4 Future Integration The example file shows that additional work will be required if this instrument is to be integrated in the future and eliminate the MS Excel step. The fields to be imported from this instrument include:

0BDilution 1BSample ID 2BSample volumes 3BSeed vol. 4BInitial Dissolved Oxygen reading, temperature, date/time 5BFinal Dissolved Oxygen reading, temperature, date/time 6BDepletion 7BBOD 8BAverage BOD 9BError codes 10BSeed correction factor

In addition, the laboratory would like the Calibration verifications performed before and after every analytical batch to be captured in LIMS. In the future the sequence could be generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software. This will require the new LIMS to follow standard Quality Control rules based on sequence size and maintain the naming conventions for all QC which is a standard feature in most LIMS available today.

MICROPLATE READER 1.6.2

1.6.2.1 Supported Methods The MICROPLATE READER is currently used for two analyses for cyanotoxins (i.e. Cylindrospemopsin and Microcystins). The instrument output file is limited in what information is currently available and requires that the multi-tab output file be investigated for integration and missing additional information.

1.6.2.2 Current Integration The Multiskan™ FC is connected to a PC which is connected to the EBMUD network. At this time, no information is sent from the current LIMS to the instrument. The analyst builds the sequence (Well Plate Layout) using the associated SkanIt software package either from scratch or by modifying a recent file. The instrument is currently integrated using the DEM utility, but the data requires manual verification/ manipulation before the file can be uploaded into LIMS. The analyst exports the results from SkanIt as a multi-tab MS Excel spreadsheet. The MS Excel spreadsheet is manipulated to generate an additional value and assign flagging (If needed). Once the results are calculated, the analyst opens the DEM utility, selects/enters a workgroup and transcribes the data into the appropriate columns manually.

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After the output file has been transcribed into the DEM utility it is moved into a designated folder and processed by a parsing script developed specifically for the structure of the DEM template. All of the required fields are entered in the template during the transcription. The instrument calculates concentrations based on the standard curve, and CV% for the replicate samples, which are the only calculations performed at the instrument level. Additional calculations are done in the MS Excel spreadsheet. All Quality Control data is currently included in the output file and uploaded into LIMS through the DEM utility.


An example of the actual output file and the MS Excel spreadsheet that performs the calculations will be made available to vendors. The output file contains the information required for the MS Excel spreadsheet step. The additional information needed does not appear to be available in the output file at this time. An investigation will need to be made to determine if it can be added and calculations moved into LIMS based on the data provided from the instrument.

1.6.2.4 Future Integration The example file shows that additional work will be required if this instrument is to be integrated in the future and eliminate the MS Excel step. The fields to be imported from this instrument include:

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11BWell number 12BRaw absorbance per well 13BNormalized absorbance per well 14BAnalyte concentration 15BStandard curve r2 value 16BCV% (coefficient of variance expressed in %) of replicate absorbance data

In addition, the laboratory indicated that this instrument has a ‘Low Priority’ due to its limited use. The vendor will obtain a better understanding of the level of work and difficulty against sample frequency and volume. If the instrument is integrated in the future the sequence could be generated in LIMS into a format accepted by the instrument software or at a minimum cut and pasted into the sequence building area of the controlling software. This will require the new LIMS to follow standard Quality Control rules based on sequence size and maintain the naming conventions for all QC which is a standard feature in most LIMS available today.

GEL IMAGING SYSTEM 1.6.3

1.6.3.1 INTEGRATION PLANS The GEL IMAGING SYSTEM is currently used as a research tool; there are no plans to integrate it at this time. If plans change, the vendor will be provided with the information required to discuss and determine the level of difficulty and cost for integration.

1.7 Balances and Meters

BALANCES 1.7.1

1.7.1.1 INTEGRATION PLANS The laboratory utilizes multiple balances at various locations within the facility. Currently only those balances utilized for Solids testing are integrated using wedge applications. After a LIMS vendor is selected, each balance will be investigated, throughput evaluated and it will be determined if there is a need to integrate. Those balances that are currently wedged are wedged into a template specifically designed for their associated test within the DEM utility. No weights are currently passed directly into LIMS. The goal with all balances identified for integration will be to directly pass weights using ‘Wedge Software’ into LIMS. The following is a list of balances and their current integration status:

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• Balance OHAUS 2 – Used for TSS, TDS and TS (w/v) analyses with very high throughput. It is currently integrated utilizing a wedge application. All weights are passed directly into a DEM template designed for these analyses that is then uploaded into the current LIMS. This balance will definitely be integrated into the new LIMS. As a part of this integration, the laboratory would also like to capture and maintain balance calibration and weight checks.

• Balance PG 603-S - Used for the TS/VS analysis with very high throughput. It is currently integrated utilizing a wedge application. All weights are passed directly into a DEM template designed for these analyses that is then uploaded into the current LIMS. This balance will definitely be integrated into the new LIMS. As a part of this integration, the laboratory would also like to capture and maintain balance calibration and weight checks.

• Balance PM1200 – This balance is currently not integrated and will need to be integrated. As a part of this integration, the laboratory would also like to capture and maintain balance calibration and weight checks.

• Balance AT 250 - This balance is currently not integrated and will need to be integrated. As a part of this integration, the laboratory would also like to capture and maintain balance calibration and weight checks.

After selection, all balance within the facility will be identified and integrated based on the tests supported, throughput of samples and efficiency improvements.

Meters 1.7.2

1.7.2.1 INTEGRATION PLANS The laboratory currently utilizes various meters for data collection. At this time, none are connected to a PC for direct data transfer. There are some analyses that this integration would be beneficial and save transcription time. No specific meters were identified during this assessment but the following meters in use should be investigated:

• Temperature • Conductivity • pH • Ion Selective Electrode • Turbidity • Oxidative Reductive Potential

The laboratory has plans currently to purchase a multiple channel meter for the parameters listed above. The purchase will be made with integration capabilities in mind. Any new meters purchased will be capable of connecting to a networked PC.

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ATTACHMENT A2: Instrument Integration Mapping · Metals HG LEEMAN HYDRA II Leeman Hydra II AA Envoy...

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