speaq: Tools for Nuclear Magnetic Resonance (NMR) Spectra Alignment, Peak Based Processing, Quantitative Analysis and Visualizations

Makes Nuclear Magnetic Resonance spectroscopy (NMR spectroscopy) data analysis as easy as possible by only requiring a small set of functions to perform an entire analysis. 'speaq' offers the possibility of raw spectra alignment and quantitation but also an analysis based on features whereby the spectra are converted to peaks which are then grouped and turned into features. These features can be processed with any number of statistical tools either included in 'speaq' or available elsewhere on CRAN. More details can be found in Vu et al. (2011) <doi:10.1186/1471-2105-12-405> and Beirnaert et al. (2018) <doi:10.1371/journal.pcbi.1006018>.

Version: 2.7.0
Depends: R (≥ 3.1.0)
Imports: MassSpecWavelet, cluster, parallel, doSNOW, data.table, foreach, stats, Rfast, utils, graphics, grDevices, ggplot2, gridExtra, reshape2, rvest, xml2, missForest, impute
Suggests: datasets, knitr, rmarkdown, grid, gridBase
Published: 2022-05-23
DOI: 10.32614/CRAN.package.speaq
Author: Charlie Beirnaert, Trung Nghia Vu, Pieter Meysman, Kris Laukens and Dirk Valkenborg
Maintainer: Charlie Beirnaert <charlie_beirnaert at icloud.com>
License: Apache License 2.0
NeedsCompilation: no
Materials: NEWS
In views: ChemPhys
CRAN checks: speaq results


Reference manual: speaq.pdf
Vignettes: classic speaq vignette
speaq 2.0 function illustrations


Package source: speaq_2.7.0.tar.gz
Windows binaries: r-devel: speaq_2.7.0.zip, r-release: speaq_2.7.0.zip, r-oldrel: speaq_2.7.0.zip
macOS binaries: r-release (arm64): speaq_2.7.0.tgz, r-oldrel (arm64): speaq_2.7.0.tgz, r-release (x86_64): speaq_2.7.0.tgz, r-oldrel (x86_64): speaq_2.7.0.tgz
Old sources: speaq archive

Reverse dependencies:

Reverse imports: AlpsNMR
Reverse suggests: ChemoSpec


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