Software Open Access

MCR-ALS 2.0 toolbox

Joaquim Jaumot; Romà Tauler; Anna de Juan

An updated version of the graphical user-friendly interface related to the Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) algorithm is presented. This GUI works under MATLAB® environment and includes recent published advances of this algorithm linked to the implementation of additional constraints, such as kinetic hard-modeling and correlation (calibration), as well as constraints linked to model structure for multiset and multi-way data analysis, such as the possibility to use fully or partially multilinear models (trilinear or quadrilinear) to describe the data set.

Software Description and Requirements

The GUI updated version for the MCR-ALS algorithm consists of a series of MATLAB® files developed under its release 2013a. The main MCR routine is named mcr_main and it calls all the necessary auxiliary routines. MCR-ALS code, related tutorials and data sets for practicing are available at the Multivariate Curve Resolution web page.

Updated july 2021
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