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khliland avatar khliland commented on July 30, 2024

Dear Rustam,

The original formulation of reference, constituents and interferents was that the reference spectrum was the basic spectrum that the other spectra were adjusted towards (scaling and baseline), while constituents were spectra of measured compounds and interferents were spectra of unwanted signals. The latter are corrected for, together with the baseline, while the constituents are only used to stabilize the model, not for corrections. However, the exact effect of the various spectra is dependent on the data being analysed and how these are combined.

Regards,
Kristian

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rguliev avatar rguliev commented on July 30, 2024

The latter are corrected for, together with the baseline, while the constituents are only used to stabilize the model, not for corrections.

But in the code there is no difference between interferents and constituents. That what confused me. For example, in this line, constituents are also removed.

Another question is, Is there any difference between a) multiple reference spectra and b) one reference spectra and constituents? It looks to me that, when multiply reference spectra is supported, then constituents parameter can be removed from the function.

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khliland avatar khliland commented on July 30, 2024

Dear Rustam,

The constituents are not removed at the line you refer to. If you look at the index, only k:terms is removed, where terms is defined here. Constituents are positioned after the reference, polynomials, interferents and, possibly, replicate correction spectra, thus not included in the correction.

The key difference between references spectra and constituents is that the multiplicative part of EMSC, i.e. the scaling, is with respect to references, not the constituents.

Best regards,
Kristian

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rguliev avatar rguliev commented on July 30, 2024

Ok. Now, I got it:)
Thank you!

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