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.
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.
Examples from hyperspectral images of biological samples (FT-IR and Raman) from:
Víctor Olmos, Laura Benítez, Mónica Marro, Pablo Loza-Alvarez, Benjamí Piña, Romà Tauler, Anna de Juan, Relevant aspects of unmixing/resolution analysis for the interpretation of biological vibrational hyperspectral images, TrAC Trends in Analytical Chemistry (in press)
Check download section 😉
Chemometrics in Analytical Chemistry 2016 is approaching.
An MCR course is scheduled for June 6th (morning).
More information: http://www.cacbarcelona.com/index.php/program/pre-conference-courses#CurveResolution
An MCR course is scheduled on CAC 2015 (more information).
Another MCR course is schedules on NIR 2015 (more information)
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
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.
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.
Two short MCR courses (basic and advanced) are scheduled for June 9th on the context of CAC 2014 conference:
More information can be found at: http://www.cac2014.vcu.edu/Scientific_information_layer_2.html#sc
A MCR course is scheduled for May 6h 2014 within the framework of the EuroPACT 2014 conference.
More information at http://events.dechema.de/events/en/EuroPACTCourses.html
Updated version of the MCR-ALS web.
Previous web can be accessed at http://www.cid.csic.es/homes/rtaqam/tmp/WEB_MCR/welcome.htm