Alternating Least Squares (or Multivariate Curve Resolution) for analytical chemical data, in particular hyphenated data where the first direction is a retention time axis, and the second a spectral axis. Package builds on the basic als function from the ALS package and adds functionality for high-throughput analysis, including definition of time windows, clustering of profiles, retention time correction, etcetera.
|Date of publication||None|
|Maintainer||Ron Wehrens <firstname.lastname@example.org>|
|License||GPL (>= 2)|
alsace-package: Alternating Least Squares in an Analytic Chemistry...
components: Functions to assess and refine ALS components
correctPeaks: Correct peak positions according to a ptw warping model
correctRT: Retention time correction for ALS chromatographic profiles
doALS: Wrapper function for als, plus some support functions
filterPeaks: Filter peak lists
fitpeaks: Fit chromatographic peaks with a gaussian profile
getAllPeaks: Extract all peaks from the chromatographic profiles of an ALS...
getPeakTable: Convert MCR results into an ordered peak table
opa: Finding the most dissimilar variables in a data matrix: the...
preprocess: Preprocessing smooth time-wavelength data
showALSresult: Plot ALS results in a more elaborate way
tea: HLPC-DAD data for grape extracts conserved with TEA
teaMerged: Results of an ALS analysis on individual windows
windows: Splitting and merging of data across the time axis.