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>.

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Description file content

Package
speaq
Version
2.6.0
Date
2019-05-22
Title
Tools for Nuclear Magnetic Resonance (NMR) Spectra Alignment, Peak Based Processing, Quantitative Analysis and Visualizations
Author
Charlie Beirnaert, Trung Nghia Vu, Pieter Meysman, Kris Laukens and Dirk Valkenborg
Maintainer
Charlie Beirnaert
Description
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) and Beirnaert et al. (2018) .
Depends
R (>= 3.1.0),
Imports
MassSpecWavelet, cluster, mQTL, parallel, doSNOW, data.table, foreach, stats, Rfast, utils, graphics, grDevices, ggplot2, gridExtra, reshape2, rvest, xml2, missForest, impute
Suggests
datasets, knitr, rmarkdown, grid, gridBase
LazyData
true
VignetteBuilder
knitr
License
Apache License 2.0
RoxygenNote
6.1.1
NeedsCompilation
no
Packaged
2019-05-22 17:02:35 UTC; Charlie
Repository
CRAN
Date/Publication
2019-05-23 05:00:03 UTC

install.packages('speaq')

2.6.0

a day ago

Charlie Beirnaert

Apache License 2.0

Depends on

R (>= 3.1.0),

Imports

MassSpecWavelet, cluster, mQTL, parallel, doSNOW, data.table, foreach, stats, Rfast, utils, graphics, grDevices, ggplot2, gridExtra, reshape2, rvest, xml2, missForest, impute

Suggests

datasets, knitr, rmarkdown, grid, gridBase

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