Behrends, Volker, Tredwell, Gregory D and Bundy, Jacob G (2011) A software complement to AMDIS for processing GC-MS metabolomic data. Analytical biochemistry, 415 (2). pp. 206-208. ISSN 0003-2697

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Abstract

The software package AMDIS performs GC-MS peak deconvolution, but tends to produce false positives and leaves missing values where peaks are found in only a proportion of a set of chromatograms. We have developed a software complement to AMDIS that (a) allows rapid manual inspection of chromatographic peaks across all samples, to confirm data quality; and (b) for a given sample set, integrates peak areas across all samples, even where AMDIS deconvolution would leave missing values. The software is a freely available package that runs within the commercial Matlab environment, and is useful for metabolomics and other situations where GC-MS is used to profile many peaks from complex mixtures.

Item Type:	Article
Identifier:	10.1016/j.ab.2011.04.009
Keywords:	GC-MS, AMDIS, deconvolution, metabolomics, software
Subjects:	Natural sciences > Cell and molecular biology Natural sciences
Depositing User:	Volker Behrends
Date Deposited:	20 May 2024 12:16
Last Modified:	20 May 2024 12:16
URI:	https://repository.uwl.ac.uk/id/eprint/11451

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