ICP-AES Measurements of Autocatalytic Material Digest

Automotive catalyst materials contain valuable metals such as platinum, palladium, and rhodium. Measuring these elements in complex industrial materials requires separating useful chemical information from overlapping or uninformative spectral signals. Inductively coupled plasma atomic emission spectroscopy (ICP-AES) estimates elemental concentrations by measuring light emitted at many wavelengths. Because a spectrum can contain thousands of measurements, selecting the most informative emission lines can produce simpler and more focused multivariate calibration models. ICPAES1.mat contains training and independent-test data: X.data: 49 training samples × 155 emission lines; pt.data: platinum reference concentrations for the 49 training samples; Xtst.data: 10 test samples × 155 emission lines; pttst.data: platinum reference concentrations for the 10 test samples. The 155 variables represent prominent, low-interference emission lines from platinum, palladium, rhodium, aluminium, magnesium, cerium, zirconium, and other elements. ICPAES2.mat contains a broader industrial dataset: alldata: 111 peroxide-fusion digests × 2,268 emission variables; allfusion_conc: 111 × 7 reference concentrations ordered as gold, silver, platinum, palladium, iridium, rhodium, and ruthenium. The paired emission and concentration blocks support variable-selection research, multivariate calibration, comparison of reduced and broad spectral representations, and quantitative analysis of precious metals in industrial samples. Original source listing: https://ucphchemometrics.com/datasets/ Original ERDA package: https://sid.erda.dk/share_redirect/DX7AMNpOmh/ICPAES.zip If you use this data, please cite: Griffiths, M. L.; Svozil, D.; Worsfold, P.; Denham, S.; Evans, E. H. (2002). Variable reduction algorithm for atomic emission spectra: application to multivariate calibration and quantitative analysis of industrial samples. Journal of Analytical Atomic Spectrometry, 17(8), 800-812. https://doi.org/10.1039/B203239M