This is the program for the 2010 Joint Statistical Meetings in Vancouver, British Columbia.

Abstract Details

Activity Number: 535
Type: Contributed
Date/Time: Wednesday, August 4, 2010 : 10:30 AM to 12:20 PM
Sponsor: Section on Statistical Graphics
Abstract - #309274
Title: Methods and Diagnostic Tools for the Analysis of GC-MS Metabolomics Data
Author(s): Tengfei Yin*+ and Michael Lawrence and Marie Vendettuoli and Suh-Yeon Choi and Dianne Cook and Heike Hofmann
Companies: Iowa State University and Genentech and Iowa State University and Iowa State University and Iowa State University and Iowa State University
Address: , , ,
Keywords: chromatoplots ; high-throughput ; GC-MS ; graphical diagnostics

GC-MS is a common method for the high-throughput measurement of metabolite levels in biological samples. Pre-processing this data is time-consuming, and fraught with uncertainty due to baseline distortion and incomplete peak resolution. We have developed numerical methods and graphical diagnostics for preprocessing the raw data. The analysis routines are implemented in an R package named chromatoplots, with the GGobi software for interactive graphics. This package provides interactive visualizations for examining the result of pre-processing stages and elucidating the effects of parameter settings on the output. Three levels of data (simulated/artificial/experimental data) are analyzed and results from different software are compared.

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