| clupaSpectra {ChemoSpec} | R Documentation |
This function is a wrapper to several functions in the speaq package. It implements the CluPA algorithm described in the reference.
clupaSpectra(spectra, bT = NULL, ...)
spectra |
An object of S3 class |
bT |
Numeric. The baseline threshold. Defaults to five percent of the
range of the data, in |
... |
Other arguments to be passed to the underlying functions. |
A modifed Spectra object.
Bryan A. Hanson, DePauw University. hanson@depauw.edu
Vu TN, Valkenborg D, Smets K, Verwaest KA, Dommisse R, Lemiere F, Verschoren A, Goethals B, Laukens K. "An integrated workflow for robust alignment and simplified quantitative analysis of NMR spectrometry data" BMC Bioinformatics vol. 12 pg. 405 (2011).
https://github.com/bryanhanson/ChemoSpec
# July 2017: This function requires pkg speaq which in turn
# requires pkg data.table, which is broken in the CRAN build
# chain. We make a check of the status so we can pass CRAN!
if (requireNamespace("speaq", quietly = TRUE)) {
data(alignMUD)
plotSpectra(alignMUD, which = 1:20, lab.pos = 4.5, offset = 0.1,
yrange = c(0, 1900), amp = 500, xlim = c(1.5, 1.8),
main = "Misaligned NMR Spectra (alignMUD)")
aMUD <- clupaSpectra(alignMUD)
plotSpectra(aMUD, which = 1:20, lab.pos = 4.5, offset = 0.1,
yrange = c(0, 1900), amp = 500, xlim = c(1.5, 1.8),
main = "Aligned NMR Spectra (alignMUD)")
} # end of namespace check