The input file provided to NMRQNet is a csv file.
- The first column is chemical shift values
- For the rest of columns, each column is the 1H NMR spectrum for one plasma sample
- See NMRQNet/data/tutorial_data/control_human_plasma.csv for example
- Tutorial for NMR spectra preprocessing is available at: tutorial_data_preprocess
- Tutorial for EDTA plasma analysis: at NMRQNet/tutorial/tutorial_for_EDTA_plasma.ipynb
- Tutorial for other (heparin, citrate) plasma analysis: at NMRQNet/tutorial/tutorial_for_other_plasma.ipynb