Shootout NIR data
NIR data from 654 tablets, measured at two different instruments. The data have been divided in training, test and validation sets.
shootout is a list containing spectral data of
tablets, measured on two instruments, as well as response variables.
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.
R. Wehrens. "Chemometrics with R - Multivariate Data Analysis in the Natural Sciences and Life Sciences". Springer, Heidelberg, 2011.
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