LIMS for Lasers 2015 User Manual

download LIMS for Lasers 2015 User Manual

of 188

  • date post

    16-Jan-2016
  • Category

    Documents

  • view

    14
  • download

    0

Embed Size (px)

description

LIMS for Laser 2015 User Manual

Transcript of LIMS for Lasers 2015 User Manual

  • LIMS for Lasers 2015

    A Laboratory Information Management System for Stable Hydrogen and Oxygen Isotopes in Water Samples by Laser Absorption Spectroscopy

    User Manual & Tutorial

    Version v 2.0 2015/03/14

  • i

    Foreword The measurement of stable isotope ratios of hydrogen and oxygen (2H, 18O, 17O) in water samples by laser absorption spectroscopy is an increasingly common and cost-effective analytical tool in hydrologic and environmental studies around the world.

    While laser instruments are easy to operate, adoption of lasers into routine laboratory operations is not simple, owing to extensive data manipulations required by the operator. Other challenges include sample-project management, storage and tracking of instrument data files, derivation of algorithms to correct for between-sample memory and correcting for instrumental drift over the course of analysis auto runs. Some have developed complex data processing spreadsheets; however, spreadsheets present a challenge to maintaining and reporting long-term QA/QC and laboratory audits.

    Laboratory Information Management System (LIMS) for Lasers 2015 simplifies and automates many difficult processes, and eliminates offline spreadsheet data manipulation. LIMS for Lasers 2015 makes use of templates that apply Identical Treatment principles to samples and measurement standard analyses. Analysis templates include multiple occurrences of measurement standards to quantify between-sample memory, determine instrumental drift, and normalize results to the VSMOWSLAP scale. Controls are used to quantify long-term QA/QC and laboratory performance.

    LIMS for Lasers manages clients and project data and also generates instrument-sample-list templates for all laser instruments, all of which otherwise requires extensive typographical data input. Laser output files are directly imported into LIMS for Lasers for processing. The results are screened for outliers, between-sample memory and drift. These are then corrected for, as required. Laser performance is monitored using control standards to assess QA/QC and by 2H vs. 18O cross-plots. These automated processing features reduce mistakes and operator errors.

    This document describes how to implement LIMS for Lasers 2015 for Los Gatos Research or Picarro instruments into a laboratory. To facilitate use of LIMS for Lasers, this document also contains download links to the latest software repository.

    A published summary of the performance benefits of using LIMS for Lasers is found in:

    Wassenaar, L. I., Coplen, T. B., & Aggarwal, P. K. (2014). Approaches for achieving long-term

    accuracy and precision of 18O and 2H for waters analyzed using laser absorption spectrometers. Environ Sci Technol, 48(2), 1123-1131. doi: 10.1021/es403354n

    Persons involved in extensively testing LIMS for Lasers 2015 and editing this guide were: Leonard I. Wassenaar, Tyler B. Coplen, Cedric Douence, and Stefan Terzer. Feedback from Yesha Shreshta, Lauren Brandes and various IAEA trainees has tremendously helped to improve LIMS for Lasers and the user manual.

  • ii

    Table of Contents 1. Introduction to LIMS for Lasers 2015 ................................................................................... 1

    1.1. What is LIMS for Lasers 2015? ............................................................................... 2

    2. LIMS for Lasers - At a Glance ................................................................................................ 3 2.1. LIMS for Lasers 2015 at a Glance ........................................................................... 4 2.2. Routine Sample Autorun Checklist ......................................................................... 5

    3. Computerand Software Requirements ............................................................................... 7 4. Getting Started with LIMS for Lasers .................................................................................... 8

    4.1. Set up LIMS for Lasers 2015 - New Laboratory ...................................................... 9 4.2. Upgrade from LIMS for Lasers 2012 ....................................................................... 13 4.3. Set up in a LIMS for Lasers in a v9 Laboratory ....................................................... 13 4.4. Quick-Start Backend Database .............................................................................. 13 4.5. Check LIMS for Lasers Versions .............................................................................. 15 4.6. Customize Laboratory Settings .............................................................................. 16 4.7. LIMS for Lasers Backend Database Locations ....................................................... 18

    5. Adding New Laser Instruments ............................................................................................ 19 5.1. Add a Los Gatos Research DLT-100 / 24D Instrument ........................................... 20 5.2. Add a Los Gatos Research IWA-35EP or TIWA45EP Instrument ........................... 21 5.3. Add a Picarro Instrument ....................................................................................... 24

    6. Customers, Projects and Samples ........................................................................................ 26 6.1. Add / Edit Customers ............................................................................................. 27 6.2. Add Projects and Samples ...................................................................................... 28 6.3. Manually Create a New Project.............................................................................. 34

    6.4. Create a 17O Project .............................................................................................. 36 6.5. Import a New Project using Excel .......................................................................... 40 6.6. Custome Excel Submission Forms .......................................................................... 41 6.7. Tips for Successful Excel Submission Templates .................................................... 43 6.8. Print Sample and Vial Labels .................................................................................. 44 6.9. Survey of Unreported Projects ............................................................................... 46

    7. Isotopic Measurement Standards ........................................................................................ 47 7.1. Primary and Laboratory Measurement Standards................................................. 48 7.2. Add and Edit Standards and Controls .................................................................... 49 7.3. Assign Isotopic Values to Standards ....................................................................... 52 7.4. Keep Track of Standards over Time........................................................................ 55

    8. Sample Analysis Templates .................................................................................................. 56 8.1. Sample Analysis in LIMS for Lasers 2015 ................................................................ 57 8.2. The Importance of Analysis Templates .................................................................. 58 8.3. Using Analysis Templates ....................................................................................... 62 8.4. Create a Los Gatos Research 30-Sample Analysis Template .................................. 68 8.5. Create a Picarro 20-Sample Analysis Template ...................................................... 72 8.6. Multi-sheet Sample Layout Printouts .................................................................... 76 8.7. Add Samples to Analysis Templates ....................................................................... 77 8.8. Add Samples to Picarro Analysis Queue ................................................................ 78 8.9. Add Samples to Los Gatos Research Analysis Queue ............................................. 79

  • iii

    8.10. The Add Sample Options ....................................................................................... 80 8.11. Remove Samples from a Queue ............................................................................. 82 8.12. Repeated Samples in LIMS for Lasers ..................................................................... 85 8.13. Next Sample Number ............................................................................................. 85

    9. Running Samples on a Picarro Laser..................................................................................... 87 9.1. Create a Sample List for Picarro ............................................................................ 88 9.2. Import Isotopic Data from a Picarro ...................................................................... 95

    10. Running Samples on a Los Gatos Research Laser ................................................................ 100 10.1. Create a Sample List for Los Gatos ......................................................................... 101 10.2. Import Isotopic Data from Los Gatos Research ..................................................... 112

    11. Data Import Options and Errors ........................................................................................ 118 11.1. Data Import Options Explained .............................................................................. 119 11.2. Data Import Error Messages .................................................................................. 122

    12. Normalizing, Evaluating and Storing Results ....................................................................... 123 12.1. Nor