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

## Documentation for package ‘speaq2’ version 0.1.0

- DESCRIPTION file.
- User guides, package vignettes and other documentation.

## Help Pages

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