Traditional NIR calibration methods rely on assembling a calibration set of
samples and using procedures such as multiple linear regression or partial
least squares to develop the calibration. The problem with this methodolog
y is to assemble a calibration set which maximises the diversity, of sample
s represented whilst minimising the intercorrelations between constituents,
particularly total protein content and moisture content. The application o
f NIR measurements of grain has moved beyond simply measuring protein and m
oisture content. There is now considerable interest in using NIR to measure
a range of quality parameters such as Extensograph extensibility and maxim
um resistance. These parameters arc not themselves represented in the NIR s
pectrum, but are a direct result of the protein composition of the sample.
Consequently. a method for predicting the protein composition would be usef
ul. In this paper. we present the results of a comparison of a curve fittin
g methodology and the more usual partial least squares curve fitting of the
component protein spectra, using samples obtained from a wheat breeders' t
rial. Gliadin and glutenin contents were measured by SE-HPLC and used to de
velop a partial least squares calibration and the results compared with a c
urve-fitting methodology. For the situation examined here. the curve fining
methodology did not perform as well as partial least square, calibration.
For glutenin. SEP = 0.65 for the curve fitting compared to SECV = 0.38 for
a traditional PLS calibration. However. the results from the curve-fitting
are independent of the total protein content and show sufficient discrimina
tion for potential use in sample protein ranking. (C) 2001 Academic Press.