Comparative visualization for comprehensive two-dimensional gas chromatography
| Autor: | Qingping Tao, Benjamin V. Hollingsworth, Stephen E. Reichenbach, Arvind Visvanathan |
|---|---|
| Rok vydání: | 2005 |
| Předmět: |
Chromatography
Chromatography Gas Chemistry Organic Chemistry General Medicine Biochemistry Sample (graphics) Article Analytical Chemistry Visualization Two-dimensional chromatography Sample classification Benzene derivatives Benzene Derivatives Image Processing Computer-Assisted Gas chromatography Hue |
| Zdroj: | Journal of chromatography. A. 1105(1-2) |
| ISSN: | 0021-9673 |
| Popis: | This paper investigates methods for comparing datasets produced by comprehensive two-dimensional gas chromatography (GC x GC). Chemical comparisons are useful for process monitoring, sample classification or identification, correlative determinations, and other important tasks. GC x GC is a powerful new technology for chemical analysis, but methods for comparative visualization must address challenges posed by GC x GC data: inconsistency and complexity. The approach extends conventional techniques for image comparison by utilizing specific characteristics of GC x GC data and developing new methods for comparative visualization and analysis. The paper describes techniques that register (or align) GC x 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 x GC datasets. Experimental results indicate that the comparative methods preserve chemical information and support qualitative and quantitative analyses. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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