Title: "On Preprocessing and Analyzing GCGC-MS Data"
Speaker: Dabao Zhang, Department of Statistics, Purdue University
Place: Mechanical Engineering (ME) 161; September 9, 2008, Tuesday, 4:30pm


Two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GCGC/TOF-MS) is a powerful tool for analyzing complex samples and quantifying the underlying compounds. However, successful application requires that the experimental data from GCGC/TOF-MS should be preprocessed to be of good quality, and then analyzed with multivariate tools to glean information.

One important goal of preprocessing GCGC/TOF-MS data is to correct retention time shifts. We have developed a two-dimensional (2-D) correlation optimized warping (COW) algorithm to align GCGC/TOF-MS data. By partitioning raw chromatographic profiles and warping the grid points simultaneously along the first and second dimensions on the basis of applying a one-dimensional (1-D) COW algorithm to characteristic vectors, non-grid points can be interpolatively warped. I will also discuss some multivariate tools in profiling underlying compounds.

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