MVAPACK: A complete data handling package for NMR metabolomics

Bradley Worley, Robert Powers

Research output: Contribution to journalArticle

57 Citations (Scopus)

Abstract

Data handling in the field of NMR metabolomics has historically been reliant on either in-house mathematical routines or long chains of expensive commercial software. Thus, while the relatively simple biochemical protocols of metabolomics maintain a low barrier to entry, new practitioners of metabolomics experiments are forced to either purchase expensive software packages or craft their own data handling solutions from scratch. This inevitably complicates the standardization and communication of data handling protocols in the field. We report a newly developed open-source platform for complete NMR metabolomics data handling, MVAPACK, and describe its application on an example metabolic fingerprinting data set.

Original languageEnglish (US)
Pages (from-to)1138-1144
Number of pages7
JournalACS Chemical Biology
Volume9
Issue number5
DOIs
StatePublished - May 16 2014

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Metabolomics
Data handling
Nuclear magnetic resonance
Software
Network protocols
Software packages
Standardization
Communication
Experiments

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Medicine

Cite this

MVAPACK : A complete data handling package for NMR metabolomics. / Worley, Bradley; Powers, Robert.

In: ACS Chemical Biology, Vol. 9, No. 5, 16.05.2014, p. 1138-1144.

Research output: Contribution to journalArticle

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