ALS for the Automatic Chemical Exploration of mixtures


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Documentation for package ‘alsace’ version 1.14.0

Help Pages

alsace-package Alternating Least Squares in an Analytic Chemistry Environment
alsace Alternating Least Squares in an Analytic Chemistry Environment
combineComps Functions to assess and refine ALS components
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
findpeaks Fit chromatographic peaks with a gaussian profile
fitpeaks Fit chromatographic peaks with a gaussian profile
getAllPeaks Extract all peaks from the chromatographic profiles of an ALS object
getPeakTable Convert MCR results into an ordered peak table
getTime Wrapper function for als, plus some support functions
getWavelength Wrapper function for als, plus some support functions
mergeTimeWindows Splitting and merging of data across the time axis.
opa Finding the most dissimilar variables in a data matrix: the Orthogonal Projection Approach
plot.ALS Wrapper function for als, plus some support functions
preprocess Preprocessing smooth time-wavelength data
print.ALS Wrapper function for als, plus some support functions
removeComps Functions to assess and refine ALS components
showALSresult Plot ALS results in a more elaborate way
smallComps Functions to assess and refine ALS components
splitTimeWindow Splitting and merging of data across the time axis.
suggestCompCombis Functions to assess and refine ALS components
summary.ALS Wrapper function for als, plus some support functions
tea HLPC-DAD data for grape extracts conserved with TEA
tea.raw 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.