Accession Number:

AD1064967

Title:

Development of Improved Automated GC-MS Analysis Software: Final Report

Descriptive Note:

Technical Report,01 Oct 2017,30 Sep 2018

Corporate Author:

NAVAL RESEARCH LAB WASHINGTON DC WASHINGTON United States

Report Date:

2018-12-14

Pagination or Media Count:

41.0

Abstract:

FCAST is a comprehensive software package that extracts a wide variety of information from GC-MS data using mathematical, statistical, and chemometric modeling strategies, which is invaluable when comprehensive fuel analyses are required but limited sample volumes are available. FCAST is a self-contained tool for rapid fuel identification and characterization and has been an invaluable resource in NRL fuel-based research programs, but the previous iteration of FCAST required additional development before DLA Energy could reliably employ it to assure fuel quality throughout distribution chains and collect on-site compositional data from fuel samples for comparisons to forensics library-derived compositional data. The objective of this work was thus to develop an improved FCAST, with a focus on refining and implementing GC-MS peak deconvolution and recognition methodologies developed during an FY17 DLA Energy-funded study at NRL, optimizing software functionality to account for newly deconvolved mass spectral information, and automating front-end parameter selection.

Subject Categories:

  • Fuels
  • Computer Programming and Software

Distribution Statement:

APPROVED FOR PUBLIC RELEASE