Generalizability of PLS calibrations with FT-IR ATR spectrometry for the prediction of some physicochemical measurands of honey Technical-scientific information

This work had as main objective to evaluate the generalizability of Partial Least Squares (PLS) calibrations with Fourier Transform Infrared spectroscopy with an Attenuated Total Refl ection accessory (FT-IR ATR) for the prediction of 16 physicochemical measurands of honey. More than 400 different honey samples from the Swiss National Honey Quality Program were analyzed using physicochemical reference methods adopted by the Swiss Bee Research Centre (Switzerland), as well as by FT-IR ATR. PLS regression was used to develop the calibration models (internal and external validation) for the measurands studied. Further 79 honey samples (different from the samples used for the calibration but the same as used in a previously published paper) were also used to evaluate the generalizability of the FT-IR ATR / PLS method.[...] Data presented here indicate that the procedure used previously by Ruoff, Iglesias, Luginbuhl, Bosset, Bogdanov, Amado (2006) can be reproduced with different equipments, different samples, different software, and different operators in different laboratory conditions, while keeping the selected spectral regions and algorithms the same. The 79 independent samples (same used by Ruoff