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Updated: Mar 6, 2026

Identification and Quantification of Deranged Metabolites in Critically Ill Patients Using NMR-Based Metabolomics
Published on: November 29, 2024
NMRProcFlow: a graphical and interactive tool dedicated to 1D spectra processing for NMR-based metabolomics
D Jacob1, C Deborde1, M Lefebvre1
1UMR1332 Fruit Biology and Pathology, INRA, Univ. Bordeaux, Plateforme Métabolome Bordeaux-MetaboHUB, 71 avenue Edouard Bourlaux, 33140 Villenave d'Ornon, France.
Introduction:
Concerning NMR-based metabolomics, 1D spectra processing often requires an expert eye for disentangling the intertwined peaks.
Objectives:
The objective of NMRProcFlow is to assist the expert in this task in the best way without requirement of programming skills.
Methods:
NMRProcFlow was developed to be a graphical and interactive 1D NMR (1H & 13C) spectra processing tool.
Results:
NMRProcFlow (http://nmrprocflow.org), dedicated to metabolic fingerprinting and targeted metabolomics, covers all spectra processing steps including baseline correction, chemical shift calibration and alignment.
Conclusion:
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.
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