Premium
Transfer of spectral data between Fourier‐ transform infrared spectrometers for use in discriminant analysis of fruit purées
Author(s) -
Holland James K,
Kemsley E Katherine,
Wilson Reginald H
Publication year - 1997
Publication title -
journal of the science of food and agriculture
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.782
H-Index - 142
eISSN - 1097-0010
pISSN - 0022-5142
DOI - 10.1002/(sici)1097-0010(199711)75:3<391::aid-jsfa894>3.0.co;2-7
Subject(s) - spectrometer , linear discriminant analysis , principal component analysis , discriminant , spectral line , fourier transform , projection (relational algebra) , analytical chemistry (journal) , fourier transform infrared spectroscopy , mathematics , infrared spectroscopy , infrared , pattern recognition (psychology) , chemistry , remote sensing , artificial intelligence , biological system , statistics , chromatography , computer science , optics , physics , algorithm , mathematical analysis , biology , geology , organic chemistry , astronomy
The mid‐infrared spectra of raspberry and strawberry purées were acquired on two Fourier‐transform spectrometers. A pre‐treatment procedure, involving baseline correction and area normalisation, was developed that made the spectra from the two spectrometers compatible for use in discriminant analyses. The discriminant analyses were performed by subjecting the spectra to a principal component (PC) analysis, grouping them according to fruit species and then assigning samples to the class with the closest group mean in PC space. Models using the first PC scores of the pre‐treated spectra from one spectrometer were able to correctly assign the fruit species of between 91·1 and 96·4% of the pre‐treated spectra of independent test sets of the other. However, the projection of the spectra from each spectrometer into the same PC space showed differences in the mean positions of equivalent groups along the second and higher PCs. Therefore, the transfer of this data set is only wholly reliable using the first PC scores. Tests with the uncorrected spectra demonstrated their incompatibility through the complete lack of overlap of equivalent fruit species groups in PC space. ©1997 SCI