W4M/NMR - File Reading & Pre-Processing

Fourier transform
Phase correction
Baseline correction
Calibration
Goal

How can I preprocess NMR raw files with W4M ?

At the end of the course, you know how obtain preprocessed spectra, and assess quality of phase and baseline correction.

Prerequisites

Knowledge of NMR spectroscopy.

Introduction

Preprocessing of raw NMR files is is a critical step and time-consuming if performed manually
Goal : preprocess raw NMR files automatically using the PepsNMR software in W4M.

 

Summary
  • Read bruker files
  • Group delay and solvent suppression
  • Apodization and Fourier Transform
  • Referencing to 0 ppm
  • Zero order phase correction
  • Baseline correction
Contents
Conclusion
  • This tool is rapid and powerful to preprocess raw NMR files
  • The user must check the spectra quality using plots
  • NMR spectra can be used for the processing step
References
  • Martin, M., Legat, B., Leenders, J.,Vanwinsberghe, J., Rousseau, R., Boulanger, B., Eilers, H.C., De Tullio, P. (2018). PepsNMR for 1H NMR metabolomic data pre-processing. Analytica Chimica Acta, 1019, 1-13. https://doi.org/10.1016/j.aca.2018.02.067