Wine 1H-NMR


The data originates from 1H-NMR analysis of 40 table wines of different origin and color. No buffer and/or pH adjustment has been used prior to analysis therefore the spectra present a quite strong misalignment of the NMR resonance signals.

The data set contains:
X: 40 x 8712 (NMR wine dataset describing the NMR spectral region between 6.0 and 0.5 ppm)
Y: 40 x 17 (some reference chemical values)
Label: 1 x 17 cell (the labels of the chemical reference values)
ppm: 1 x 8712 (ppm scale from 6.0 to 0.5 ppm)
wine_ints: 1 x 22 (row vector for the definition of the customized intervals of intervention to sole the misalignment problems)

Get the data, filename, available in MATLAB 7.7 format (1.55 Mb)



Please make reference to the data by this publication:
F.H. Larsen, F. van den Berg, S.B. Engelsen, An exploratory chemometric study of 1H-NMR spectra of table wines. J.Chemom. 20 (2006) 198-208