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Title

A graphical user-friendly interface for MCR-ALS: a new tool for Multivariate Curve Resolution in MATLAB

AuthorsJaumot, Joaquim; Gargallo, Raimundo; de Juan, Anna; Tauler, Romà
KeywordsMCR-ALS
curve resolution
Chemometrics
graphical user interface
GUI
MATLAB
Issue Date26-Jan-2015
AbstractMultivariate Curve Resolution methods are a group of techniques which intend the recovery of the pure response profiles of the components in unresolved mixtures when no prior information about their nature and composition is available. A new graphical user-friendly interface for Multivariate Curve Resolution using Alternating Least Squares has been developed as a freely available MATLAB toolbox. Through the use of this new easy-to-use graphical interface, the selection of the type of data analysis (either individual experiments giving a single data matrix or the more powerful simultaneous analysis of several experiments using one or more techniques) and the selection of the appropriate constraints can be performed in a very intuitive and easy way, with the help of the options in the graphical interface. Different examples of use of this interface are given.
Publisher version (URL)dx.doi.org/10.1016/j.chemolab.2004.12.007
URIhttp://hdl.handle.net/10261/109756
ISSN0169-7439
Appears in Collections:(CID) Artículos
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