AddPlottingStuff | Add plotting variables |
BuildFeatureMatrix | Build a Feature matrix from the with speaq 2.0 processed data |
BuildRawDataMatrix | Build a raw data matrix (spectra) from spectra of unequal length |
drawSpecPPM | Plot NMR spectra from a spectra data matrix |
getWaveletPeaks | Convert raw NMR spectra to peak data by using wavelets |
hclust.grouping | Realignment with hierarchical clustering (used in the PeakAligner function) |
PeakAligner | Realignment with hierarchical clustering |
PeakFilling | Peak filling of any missed peaks |
regroupR | Regroup faulty aligned peaks |
relevant.features.p | identify features (columns in the datamatrix) which are significantly associated with the outcome vector |
SCANT | SCAle, Normalize and Transform a data matrix |
SilhouetR | SilhouetR |
Winedata | Wine dataset |