JAKi_data | sample data for analysis |
metab_list | metabolite list with HMDB ID |
NMRMetab_anova | Normalisation and Scaling |
NMRmetab_average_prediction_metrics | compute PLS-DA prediction metrics, VIPs |
NMRMetab_binning | Binning of NMR spectra |
NMRMetab_CRS | CRS function |
NMRMetab_foldchange | foldchange function |
NMRMetab_names_to_HMDB | swap metabolite names to HMDB |
NMRMetab_norm_scale | Normalisation and Scaling |
NMRMetab_norm_scale_RAW | Normalisation and Scaling raw |
NMRMetab_PCA_loading_plot | PCA analysis loading plot |
NMRMetab_PCA_plot | PCA analysis. plot |
NMRMetab_plot_binned | plot NMR_data |
NMRMetab_plot_raw_with_bins | plot NMR_data with bins |
NMRMetab_PLS_DA_plot | compute PLS-DA scores and plot plsda score |
NMRMetab_PLSDA_VIP | VIP extraction |
NMRmetab_S2N | Signal to Noise calculation |
NMRMmetab_readBruker | read Bruker files |
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