Journal
ANALYTICAL BIOCHEMISTRY
Volume 415, Issue 2, Pages 206-208Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.ab.2011.04.009
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Funding
- Biotechnology and Biological Sciences Research Council (BBSRC)
- Bioprocessing Research Industry Club (BRIC)
- BBSRC
- Engineering and Physical Sciences Research Council (EPSRC)
- Biotechnology and Biological Sciences Research Council [BB/G020434/1] Funding Source: researchfish
- Medical Research Council [G0801056B] Funding Source: researchfish
- BBSRC [BB/G020434/1] Funding Source: UKRI
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The software package AMDIS performs gas chromatography-mass spectrometry (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 (i) allows rapid manual inspection of chromatographic peaks across all samples to confirm data quality and (ii) for a given sample set, integrates peak areas across all samples even where AMDIS deconvolution would leave missing values. The freely available package runs within the commercial Matlab environment and is useful where GC-MS is used to profile complex mixtures. (C) 2011 Elsevier Inc. All rights reserved.
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