Bioconductor/R package alsace: ALS for the Automatic Chemical Exploration of mixtures. 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.
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References in zbMATH (referenced in 1 article )
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