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

TL;DR

NMRProcFlow is an interactive, user-friendly tool that simplifies 1D NMR spectra processing for metabolomics, enabling biologists and spectroscopists to efficiently analyze spectra without programming skills.

Contribution

It introduces a graphical, interactive platform for 1D NMR spectra processing tailored to metabolomics, bridging experimental design and statistical analysis.

Findings

Supports all processing steps including baseline correction and alignment

Does not require programming skills

Facilitates collaboration between biologists and spectroscopists

Abstract

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.