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

Tools for feature based analysis of Nuclear Magnetic Resonance (NMR) spectra. Wavelets are used to quantify the peaks which are grouped into features with hierarchical clustering. The results can easily be incorporated in large-scale studies that include LC-MS analysis (as this is also peak/feature based).


Reference manual

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0.1.0 by Charlie Beirnaert, a year ago

Browse source code at https://github.com/cran/speaq2

Authors: Charlie Beirnaert, Kris Laukens

Documentation:   PDF Manual  

GPL-3 license

Imports MassSpecWavelet, mQTL, parallel, doSNOW, data.table, foreach, stats, cluster, utils, graphics, grDevices

Suggests datasets, speaq, knitr, rmarkdown, grid, gridExtra, gridBase, ggplot2

See at CRAN