Dear all,
I am studying the calibration with PLS methods and, a point that I could not find, is the form that the initial matrix of the spectra is build. Which parameters are used? Is there different forms to correlate matrix and spectra?
I am working with OPUS/LAB software from Bruker in a MPA.
Thank you very much,
Joaquim Rius
Hi
I didn't fully understand your question. I used PLS for several studies (as mentioned below). I never used OPUS/LAB, only MATLAB with the right toolbox. In general you needa matrix of your spectra (without the wavenumbers) and a vector of values, one value (or more depending on the PLS algorithm) for each spectrum. You need to state how many latent variables you want to use. The algorithm will constract a few loading vectors (as the number of variables you chose) which will enable the rebuilt of the original spectra with some kind of error. The smaller the error the better the calibration. After that you use the loading vectors on unknown spectra to predict concentration. If you need I can help you use PLS in MATLAB, it is very simple...send me a private massage, I will gladly help.
https://www.researchgate.net/publication/269784702_A_Novel_Method_Combining_FTIR-ATR_Spectroscopy_and_Stable_Isotopes_to_Investigate_the_Kinetics_of_Nitrogen_Transformations_in_Soils?ev=prf_pub
https://www.researchgate.net/publication/281818833_Non_destructive_estimation_of_foliar_chlorophyll_and_carotenoid_contents_Focus_on_informative_spectral_bands?ev=prf_pub
https://www.researchgate.net/publication/289557051_Informative_spectral_bands_for_remote_green_LAI_estimation_in_C3_and_C4_crops?ev=prf_pub
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Dear Oz kira,
Thank you very much for the explanation and the information. I will check it and I will send to you a private message.
Thank you very much,
Joaquim Maria Rius Bartra
The spectral data matrix as input x and the output as y,using plsr in Matlab, that's all.
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