MSPrep--summarization, normalization and diagnostics for processing of mass spectrometry-based metabolomic data.

Hughes, Grant; Cruickshank-Quinn, Charmion; Reisdorph, Richard; Lutz, Sharon; Petrache, Irina; Reisdorph, Nichole; Bowler, Russell; Kechris, Katerina · Bioinformatics · 2014

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Abstract

Although R packages exist for the pre-processing of metabolomic data, they currently do not incorporate additional analysis steps of summarization, filtering and normalization of aligned data. We developed the MSPrep R package to complement other packages by providing these additional steps, implementing a selection of popular normalization algorithms and generating diagnostics to help guide investigators in their analyses. http://www.sourceforge.net/projects/msprep

Medical subject headings