Man pages for kimsche/MetaboMate
All you need for NMR-based metabolic profiling with R!
| bariatric | Bariatric surgery data |
| binning | Equidistant binning of spectra |
| bline | Baseline correction for NMR spectra |
| calibration | Spectral calibration to a chemical shift reference |
| center_scale | Centering and scaling vectors or matrices |
| cv_sets_method | Generate k cross-validation sets |
| dmodx | Calculating distance to the model in X space |
| get.idx | Find indices in ppm vector for respective chemical shift... |
| lw | Calculating full width at half max |
| matspec | Simple plotting of multiple NMR spectra overlayed |
| minmax | Min-max scaling |
| NIPALS_PCAcomponent | Calculating a single PCA component |
| noise.est | Estimation of noise level |
| opls | Fitting Orthogonal-Partial Least Squares Models |
| OPLS_MetaboMate-class | An S4 class to represent OPLS models |
| opls.par | Fitting Orthogonal-Partial Least Squares Models -... |
| pca | Perform Principal Component Analysis |
| PCA_MetaboMate-class | An S4 class to represent PCA models |
| plotload | Plotting PCA or OPLS loadings |
| plotscores | Plotting PCA, PLS or OPLS model scores |
| pls_prediction | Predicting scores and Y outcome using PLS component(s) |
| pqn | Probabilistic quotient normalisation |
| pred.opls | OPLS model predictions |
| readBruker | Importing 1D NMR spectra from Bruker |
| spec | Simple plotting of a single NMR spectrum |
| specload | Overlay PCA or OPLS loadings with spectra |
| specload1 | Overlay PCA or OPLS loadings with spectra - experimental |
| specOverlay | Higher level plotting function to overlay NMR spectra... |
| spec.quality | Calculating spectral quality indices |
| totalArea | Total area normalisation |
