Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
ISSN: 1386-1425
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Datasets associated with articles published in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
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The experimental Dunham coefficients and potential energy curve for the C(3)1Sigma+ state of the KCs molecule. Set of experimental energies E (in cm-1) of the observed rovibrational levels in the C(3)1Sigma+ state.
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The spectra data, models and the prediction results. The files should be open with Unscrambler X 10.4 software.
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The public NIR testing data were from the appendix of the published articles [1,2]. [1] R. Zhang, Y.Y. Chen, Z.B. Wang, K.W. Li, A novel ensemble L1 regularization based variable selection framework with an application in near infrared spectroscopy, Chemometr Intell Lab 163 (2017) 7-15. [2] J.H. Kalivas, Two data sets of near infrared spectra, Chemometr Intell Lab 37(2) (1997) 255-259. ① This data set consists of 80 samples of corn measured on 3 different NIR spectrometers, we anlysis one NIR spectrometer: m5spec. The wavelength range is 1100-2498nm at 2 nm intervals (700 channels). The moisture, oil, protein and starch values for each of the samples is also included. A number of NBS glass standards were also measured on each instrument. The data was originally taken at Cargill. Many thanks for Mike Blackburn for letting us distribute it. ② NIR spectra and octane numbers of 60 gasoline samples NIR: NIR spectra, measured in 2 nm intervals from 900 nm to 1700 nm octane: octane numbers spectra: a dataset array containing variables for NIR and octane
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