New example datasets

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 😉



7 thoughts on “New example datasets

  1. Hi there,

    I know how to apply the non-negativity constraint to C and S matrices. However, for a specific application, I need to run the MCR-ALS algorithm with non-negativity constraint applied to the matrix of residuals as well. I was wondering if there is any option in the GUI or in the underlying codes to force the residuals to be positive all the time. I appreciate your answer.


  2. Dear Ervand,

    Currently, there is no option to force these non-negative residuals. By default, residuals are positive and negative and, later, the program works with their squared sum.

    In case you need to apply this constraint, it will be easier to adapt the als.m of the original command line version (or the alsOptimization.m file of the GUI).


      • Hi Dear ,

        thank you
        I managed to fix the problem, now the links are working fine
        Please, can I ask another question
        I need only from(MCR-ALS 2.0 toolbox (Multilinear fluorescence spectra)!
        my question is how to make a file (EEMCube700 * 241 * 20) ?
        If my data on Excel worksheet is much more than these numbers
        Thank you again

        With Regards

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