Smart templates for chemical identification in comprehensive two-dimensional gas chromatography with

来源 :DaLian Internationall Symposia and Exhibition on Chromatogra | 被引量 : 0次 | 上传用户:zhangbo330330
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  This paper describes a powerful framework for analyzing data from comprehensive two-dimensional gas chromatography with mass spectrometry (GC × GC-MS).GC × GC-MS is an emerging technology that provides greater separation capacity, improved signal-to-noise ratio, and higher-dimensional chemical ordering.Innovative methods are required to analyze complex data produced by GC × GC-MS.Smart, multi-type templates provide a powerful framework for chemical identification.Templates are two-dimensional patterns defimed in the retention-time plane.Multi-type templates contain prospective peaks, geometric objects to delineate groups of peaks, and annotations such as text labels and chemical structure diagrams.Pattern matching determines a retention-time transformation that fits the template to peaks in the.target data.
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