Comparative visualization for comprehensive two-dimensional gas chromatography

Benjamin V. Hollingsworth, Stephen E. Reichenbach, Qingping Tao, Arvind Visvanathan

Research output: Contribution to journalArticle

44 Scopus citations

Abstract

This paper investigates methods for comparing datasets produced by comprehensive two-dimensional gas chromatography (GC × GC). Chemical comparisons are useful for process monitoring, sample classification or identification, correlative determinations, and other important tasks. GC × GC is a powerful new technology for chemical analysis, but methods for comparative visualization must address challenges posed by GC × GC data: inconsistency and complexity. The approach extends conventional techniques for image comparison by utilizing specific characteristics of GC × GC data and developing new methods for comparative visualization and analysis. The paper describes techniques that register (or align) GC × GC datasets to remove retention-time variations; normalize intensities to remove sample amount variations; compute differences in local regions to remove slight misregistrations and differences in peak shapes; employ color (hue), intensity, and saturation to simultaneously visualize differences and values; and use tools for masking, three-dimensional visualization, and tabular presentation with controls for graphical highlights to significantly improve comparative analysis of GC × GC datasets. Experimental results indicate that the comparative methods preserve chemical information and support qualitative and quantitative analyses.

Original languageEnglish (US)
Pages (from-to)51-58
Number of pages8
JournalJournal of Chromatography A
Volume1105
Issue number1-2 SPEC. ISS.
DOIs
StatePublished - Feb 10 2006

Keywords

  • Comparative analysis
  • Comparative visualization
  • Comprehensive two-dimensional
  • GC x GC
  • Gas chromatography

ASJC Scopus subject areas

  • Analytical Chemistry
  • Biochemistry
  • Organic Chemistry

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