Tools for processing and analyzing chemometric data.
Traditionally, the practitioner of a chemometrics protocol is faced with the simultaneous analysis of tens to hundreds of observations. In the case of NMR metabolomics, these datasets are commonly 1D 1H NMR spectra of some cell metabolite extract or biofluid. It is not uncommon to find ad hoc toolchains or protocols involving multiple different software packages and manual data curation steps between data acquisition and data analysis. While it is still somewhat ad hoc in a broader sense, the MVAPACK toolbox provides a flexible platform in which both new and established data handling methods may be tested and automated, at least in the context of NMR datasets.
The MVAPACK toolbox provides NMR data processing functions, statistical scaling and normalization functions, model-building routines and validation functions to facilitate rapid data analysis in NMR chemometrics.
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