Dataset of organic sample near infrared spectra acquired on different spectrometers

This dataset presents 127 raw near infrared spectra of different organic samples acquired on three different spectrometers in three different labs. An example of data processing is shown to create six spectra transfer models between the three spectrometers (two by two). In order to build and validat...

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Veröffentlicht in:Data in brief 2020-10, Vol.32, p.106264-106264, Article 106264
Hauptverfasser: Chauvergne, Céline, Bonnal, Laurent, Bastianelli, Denis, Carrère, Hélène, Griveau, Yves, Jacquemot, Marie-Pierre, Reymond, Matthieu, Méchin, Valérie, Rossard, Virginie, Latrille, Éric
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Sprache:eng
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Zusammenfassung:This dataset presents 127 raw near infrared spectra of different organic samples acquired on three different spectrometers in three different labs. An example of data processing is shown to create six spectra transfer models between the three spectrometers (two by two). In order to build and validate these transfer models, the dataset was split into two sets of spectra: a first set was used to compute six spectra transfer models thanks to the Piecewise Direct standardisation function (PDS). A second set of spectra, independent of the first one was used to validate transfer models. Spectrum treatments and models were created on ChemFlow (https://vm-chemflow-francegrille.eu/), a free online chemometric software that includes all the necessary functions.
ISSN:2352-3409
2352-3409
DOI:10.1016/j.dib.2020.106264