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: 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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Jacob et al. (2017) studied this question.
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