Jtwe. Vogels et al., A NEW METHOD FOR CLASSIFICATION OF WINES BASED ON PROTON AND C-13 NMR-SPECTROSCOPY IN COMBINATION WITH PATTERN-RECOGNITION TECHNIQUES, Chemometrics and intelligent laboratory systems, 21(2-3), 1993, pp. 249-258
Proton and carbon-13 nuclear magnetic resonance (NMR) spectroscopic me
thods were applied in the differentiation of 53 German white wines fro
m the regions Rheinhessen, Rheingau and Mosel-Saar-Ruwer. The robustne
ss of these differentiations was tested by leaving out one sample at a
time and replacing it into the set as a test sample. Small variations
in the position of the lines in the spectra, which lowered the classi
fication ability of the tested systems, were successfully eliminated u
sing a novel data pre-processing algorithm called partial linear fit.