Universitat de Barcelona

MULTIVARIATE CURVE RESOLUTION

GRAPHIC USER-FRIENDLY INTERFACE

Solution Equilibria and Chemometrics Group

The new proposed MCR-ALS algorithm with a user-friendly interface consists of a few MATLAB (m- and their related fig-) files developed under MATLAB 6.5 (Release 13).
The main routine is called als2004 and calls auxiliary routines (als2004m, clas3way, als2004multi, closure_no and als_res) related to the characterization of the data set and to the selection of the constraints used during the optimization.
Launching of the main routine can be performed either by writing ‘als2004’ in the MATLAB command line or by clicking the MCR-ALS user-friendly interface icon in the MATLAB Start menu or in the Shortcuts bar with the ‘xml’ file provided with the toolbox.
The software is also compatible with MATLAB release versions R12.1 to R14 and does not need any toolbox apart from the MATLAB standard core program.
The software has been tested in computers under different Microsoft Windows operating systems (from 98 / 2000 / XP) with no need of any particular additional resources and, as expected, the time of analysis is dependent on the experimental data nature.

comments on: Romà Tauler, Anna de Juan    

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updated: February 2005