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ACS Chem Biol. 2014 May 16;9(5):1138-44. doi: 10.1021/cb4008937. Epub 2014 Mar 7.

MVAPACK: a complete data handling package for NMR metabolomics.

Author information

1
Department of Chemistry, University of Nebraska-Lincoln , Lincoln, Nebraska 68588-0304, United States.

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.

PMID:
24576144
PMCID:
PMC4033658
DOI:
10.1021/cb4008937
[Indexed for MEDLINE]
Free PMC Article

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