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- Title
PyMS: a Python toolkit for processing of gas chromatography-mass spectrometry (GC-MS) data. Application and comparative study of selected tools.
- Authors
O'Callaghan, Sean; De Souza, David P; Isaac, Andrew; Wang, Qiao; Hodkinson, Luke; Olshansky, Moshe; Erwin, Tim; Appelbe, Bill; Tull, Dedreia L; Roessner, Ute; Bacic, Antony; McConville, Malcolm J; Likić, Vladimir A
- Abstract
Gas chromatography-mass spectrometry (GC-MS) is a technique frequently used in targeted and non-targeted measurements of metabolites. Most existing software tools for processing of raw instrument GC-MS data tightly integrate data processing methods with graphical user interface facilitating interactive data processing. While interactive processing remains critically important in GC-MS applications, high-throughput studies increasingly dictate the need for command line tools, suitable for scripting of high-throughput, customized processing pipelines.
- Publication
BMC bioinformatics, 2012, Vol 13, p115
- ISSN
1471-2105
- Publication type
Journal Article
- DOI
10.1186/1471-2105-13-115