beta coefficients and PredictionReport
I find that PLS prediction using calibration model was the same (or very similar) as computation (prediction) using beta coefficients obtained from the same calibration model only for mean-centering modeling (or other regression models as well) only when without any preprocessing.
However, when I added some other preprocessing such as averaging or derivatives. the above two results were not the same. Quite different for derivatives.
It appears that, somehow, computed beta coefficients does not compensate for the effect of other tasks averaging or derivatives except regression (PLSR) itself.