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Organic Analytical Laboratory

Data Management

Data management and data validation are part of the Organic Analytical Laboratory’s overall quality assurance program. Data must be assembled in a timely manner (data processing) and in a database format that permits efficient validation up to univariate Level 2. The Laboratory has developed software and utilizes up-to-date computer systems to automate the data processing and reporting functions.

Data Management

  • All data are stored in a secure and available file server system that provides a central storage area for laboratory and field data.
  • Databases have defined structures and are maintained in one area so that all field names will be consistent, permitting easy merging and comparison of various databases.
  • All data are backed up on tape cartridges at regular intervals. Redundant backups of critical data are retained to prevent loss due to failure of the backup media.
  • The Organic Analytical Laboratory computers are in an isolated local area network that cannot be accessed by outside computers.
  • A history file is maintained to record the date, time, and name of the individual making changes to any file.
  • Chromatogram files bind the calculations with the file, preventing accidental changes in the data as a result of calibration changes.
  • Data tables are produced automatically using standard report formats designed for each project. Gas chromatography/mass spectrometry data and gas chromatography/infrared detector data can be combined in a single report.
  • Integrated mass spectrometry and infrared searches are conducted utilizing the NIST Mass Spectral Library (more than 43,000 mass spectra) and the EPA IR Library (more than 4,000 IR spectra).

Data Validation

  • Data from the field, laboratory, and quality control activities are unified prior to reporting.
  • Organic Analytical Laboratory procedures address deviations from measurement assumptions and procedures.
  • Level I and II sample validation can be conducted by the Organic Analytical Laboratory.

Data Processing

  • Accurate data is combined into a single database for each type of analysis.
  • Uncertainty analysis is conducted to allow presentation of data with absolute uncertainties associated with each number in the report.
  • For chromatographic analysis, a data signal is collected and stored as digitized data by the computer system which generates reports using the appropriate response factors.
  • Carbonyl analyses are tabulated by an in-house data processing system.
  • A customized database program for canister measurements facilitates the identification of reference peaks and permits the generation of several report formats as well as merger into a master database of identified compounds for the project.

Computer Systems

Laboratory computers and data processing computers are linked using a LANtastic ethernet computer network rated at 10 megabytes/second. Data processing equipment includes:

  • One Pentium microcomputer with 2.5 gigabytes of hard disk storage and a tape backup (LAN server).
  • Two Pentium Pro microcomputers for data validation and analysis.
  • Three Pentium microcomputers for data processing.
  • Two Pentium and one 486 microcomputers for instrument control/data collection.
  • Four 486 microcomputers for data processing.
  • One 386 microcomputer for data processing.
  • Five laser printers.
  • Two inkjet color printers.
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