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

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

Research output: Contribution to journalArticle

27 Citations (Scopus)

Abstract

Motivation: 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. Availability: http://www.sourceforge.net/projects/msprepContact: Supplementary Information: Supplementary materials are available at Bioinformatics online.

Original languageEnglish
Pages (from-to)133-134
Number of pages2
JournalBioinformatics
Volume30
Issue number1
DOIs
StatePublished - Jan 1 2014

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Metabolomics
Summarization
Mass Spectrometry
Bioinformatics
Computational Biology
Normalization
Mass spectrometry
Diagnostics
Research Personnel
Availability
Processing
Preprocessing
Complement
Filtering

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Biology
  • Computational Theory and Mathematics
  • Computer Science Applications
  • Computational Mathematics
  • Statistics and Probability
  • Medicine(all)

Cite this

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.

In: Bioinformatics, Vol. 30, No. 1, 01.01.2014, p. 133-134.

Research output: Contribution to journalArticle

Hughes, G, Cruickshank-Quinn, C, Reisdorph, R, Lutz, S, Petrache, I, Reisdorph, N, Bowler, R & Kechris, K 2014, 'MSPrep-Summarization, normalization and diagnostics for processing of mass spectrometry-based metabolomic data', Bioinformatics, vol. 30, no. 1, pp. 133-134. https://doi.org/10.1093/bioinformatics/btt589
Hughes, Grant ; Cruickshank-Quinn, Charmion ; Reisdorph, Richard ; Lutz, Sharon ; Petrache, Irina ; Reisdorph, Nichole ; Bowler, Russell ; Kechris, Katerina. / MSPrep-Summarization, normalization and diagnostics for processing of mass spectrometry-based metabolomic data. In: Bioinformatics. 2014 ; Vol. 30, No. 1. pp. 133-134.
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