MVAPACK: A Complete Data Handling Package for NMR Metabolomics

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.