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

IntroductionConcerning NMR-based metabolomics, 1D spectra processing often requires an expert eye for disentangling the intertwined peaks.ObjectivesThe objective of NMRProcFlow is to assist the expert in this task in the best way without requirement of programming skills.MethodsNMRProcFlow was developed to be a graphical and interactive 1D NMR (1H & 13C) spectra processing tool.ResultsNMRProcFlow (http://nmrprocflow.org), dedicated to metabolic fingerprinting and targeted metabolomics, covers all spectra processing steps including baseline correction, chemical shift calibration and alignment.ConclusionBiologists 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.

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