ChemometricsWithRData (version 0.1.3)

shootout: Shootout NIR data

Description

NIR data from 654 tablets, measured at two different instruments. The data have been divided in training, test and validation sets.

Usage

data(shootout)

Format

Variable shootout is a list containing spectral data of tablets, measured on two instruments, as well as response variables.

Source

http://www.idrc-chambersburg.org/shootout2002.html

Details

For every tablet, three reponse variables are measured: the amount of active ingredient (nominally 200 mg/tablet), the weight and the hardness. Typically, one wants to estimate the amount of active ingredient from the NIR spectra, a straightforward multivariate calibration problem. The goal of the shootout competition was to find the optimal way to transfer a calibration model of the first instrument to the second.

References

R. Wehrens. "Chemometrics with R - Multivariate Data Analysis in the Natural Sciences and Life Sciences". Springer, Heidelberg, 2011.

Examples

data(shootout)
plot(seq(600, 1898, by = 2), shootout$calibrate.1[1,], type = "l",
xlab = "wavelength", ylab = "log(1/T)")