A graphical user-friendly interface for MCR-ALS: a new tool for multivariate curve resolution in MATLAB

10 pages, 6 figures.-- Printed version published Mar 28, 2005.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 an intuitive and easy way, with the help of the options in the graphical interface. Different examples of use of this interface are given.This research was supported by the Spanish MEC (BQU2003-00191) and the Generalitat de Catalunya (2001SGR0056).Peer reviewe

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

Multivariate 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.Peer reviewe