MCR-ALS 2.0 toolbox

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.

Info

Members (researchers): Joaquim Jaumot

Research Groups: Chemometrics for Environmental Omics (Ch4EO)

Contact Email: jjsqam@idaea.csic.es

Tool Repository: https://zenodo.org/records/6334791

Publications DOI: https://doi.org/10.1016/j.chemolab.2014.10.003

Application domain:

Data Analysis, Image analysis, Metabolome profiling, Metabolomics, Multivariate statistics, Statistical Methods for Biology

Technical details
Type of application
  • Desktop application
Software compatibility
  • Linux
  • Mac
  • Windows
Hardware requirements
Programming language
  • Matlab
  • Python
  • R
Type of containerization
  • None
Wrapper type
  • None
Input file formats
Output file formats
Compatibility with other tools