Wavelet Based Tools for Feature-Wise Analysis and Quantification of Nuclear Magnetic Resonance (NMR) Spectra

Documentation for package ‘speaq2’ version 0.1.0

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