authen_NMR dataset

Authentication data set/ NMR spectra

Discrimination between authentic and adulterated juices using 1H NMR spectroscopy. 150 samples were prepared by varying the percentage of co-fruit mixed with the fruit juice of interest. The two first characters in the row names represent this percentage. Authentic juice names begin with "00". Samples prepared with the co-fruit alone are identified by "99" (rather than 100). data

Format

150 observations and 2 blocks of variables.

• authen_NMR$Xz1: spectral range from 6 to 9 ppm (300 variables)
• authen_NMR$Xz2: spectral range from 0.5 to 2.3 ppm (180 variables)

data(authen_NMR)

Examples

data(authen_NMR)
  xlab=as.numeric(colnames(authen_NMR$Xz2))
  plot(xlab, authen_NMR$Xz2[1,], type="l", xlab="ppm",ylab="", ylim=c(14.8,15.8), 
  xlim=rev(range(xlab)))
  for (i in (1:nrow(authen_NMR$Xz2))) lines(xlab,authen_NMR$Xz2[i,])

References

Vigneau E, Thomas F (2012). Model calibration and feature selection for orange juice authentication by 1H NMR spectroscopy.Chemometrics and Intelligent Laboratory Systems, 117, 22:30.