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.
Knowledge of NMR spectroscopy.
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.
- Read bruker files
- Group delay and solvent suppression
- Apodization and Fourier Transform
- Referencing to 0 ppm
- Zero order phase correction
- Baseline correction
- 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
- 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