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 Wine_NMR.zip, available in MATLAB 7.7 format (1.55 Mb)

 

DOWNLOAD DATA
 

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