NMRProcFlow: a Graphical and Interactive Tool Dedicated to 1D Spectra Processing for NMR-based Metabolomics

Overview

Journal Metabolomics

Publisher Springer

Specialty Endocrinology

Date 2017 Mar 7

PMID 28261014

Citations 70

Authors

D Jacob

C Deborde

M Lefebvre

M Maucourt

A Moing

Affiliations

Soon will be listed here.

Abstract

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 (H & C) 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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