NMRProcFlow: A graphical and interactive tool dedicated to 1D spectra processing for NMR-based metabolomics

Daniel Jacob (1) , Catherine Deborde (1) , Marie Lefebvre (1) , Mickael Maucourt (1) , Annick Moing

1 BFP - Biologie du fruit et pathologie

Concerning NMR-based metabolomics, 1D spectra processing often requires an expert eye for disentangling the intertwined peaks, and so far the best way is to proceed interactively with a spectra viewer. NMRProcFlow is a graphical and interactive 1D NMR (1H & 13C) spectra processing tool dedicated to metabolic fingerprinting and targeted metabolomic, covering all spectra processing steps including baseline correction, chemical shift calibration, alignment. It does not require programming skills. Biologists and NMR spectroscopists can easily interact and develop synergies by visualizing the NMR spectra along with their corresponding experimental-factor levels, thus setting a bridge between experimental design and subsequent statistical analyses.

Mots clés: NMR-based metabolomics; NMR viewer; Spectra processing; Graphical Unit Interface

Domaines: Bio-informatique [q-bio.QM]; Applications [stat.AP]

Daniel Jacob, Catherine Deborde, Marie Lefebvre, Mickael Maucourt, Annick Moing. NMRProcFlow: A graphical and interactive tool dedicated to 1D spectra processing for NMR-based metabolomics. 2016. ⟨hal-01401241⟩