ROIMCR theory and software

The web has been updated with details regarding the ROIMCR approach software (Regions Of Interest – Multivariate Curve Resolution).

Details regarding the fundamentals of the approach can be found in the Theory section, whereas software and datasets can be found in the Download section.

MCR-ALS Toolbox 2 updates

We have detected some compatibility issues with MATLAB releases older than 2015a. Therefore, there is an MCR-ALS toolbox version for recent MATLAB releases and another MCR-ALS toolbox version for the older MATLAB releases (only visual differences between them).

These new versions have some new option in the MCRBANDS program (selection of optimization algorithm, number of iterations, …)

You can download these new versions from the “Download” section.

MCR-ALS GUI 2.0 – Reference and videos

MCR-ALS GUI 2.0 software description has been published: link

Reference: Joaquim Jaumot, Anna de Juan, Romà Tauler. MCR-ALS GUI 2.0: New features and applications. Chemometrics and Intelligent Laboratory Systems,  140, 2015, Pages 1-12.

 

HQ Videos – Supplementary Material of the manuscript

 

MCR-ALS GUI 2.0

New version of the MCR-ALS GUI is available for download (here)

Software description regarding the new features will be published soon in Chemometrics and Intelligent Laboratory Systems.

 

Summary

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.