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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...
Autores principales: | , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7494442/ https://www.ncbi.nlm.nih.gov/pubmed/32984461 http://dx.doi.org/10.1016/j.dib.2020.106264 |
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author | Chauvergne, Céline Bonnal, Laurent Bastianelli, Denis Carrère, Hélène Griveau, Yves Jacquemot, Marie-Pierre Reymond, Matthieu Méchin, Valérie Rossard, Virginie Latrille, Éric |
author_facet | Chauvergne, Céline Bonnal, Laurent Bastianelli, Denis Carrère, Hélène Griveau, Yves Jacquemot, Marie-Pierre Reymond, Matthieu Méchin, Valérie Rossard, Virginie Latrille, Éric |
author_sort | Chauvergne, Céline |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-7494442 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | Elsevier |
record_format | MEDLINE/PubMed |
spelling | pubmed-74944422020-09-24 Dataset of organic sample near infrared spectra acquired on different spectrometers Chauvergne, Céline Bonnal, Laurent Bastianelli, Denis Carrère, Hélène Griveau, Yves Jacquemot, Marie-Pierre Reymond, Matthieu Méchin, Valérie Rossard, Virginie Latrille, Éric Data Brief Data Article 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. Elsevier 2020-09-02 /pmc/articles/PMC7494442/ /pubmed/32984461 http://dx.doi.org/10.1016/j.dib.2020.106264 Text en © 2020 The Authors http://creativecommons.org/licenses/by/4.0/ This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Data Article Chauvergne, Céline Bonnal, Laurent Bastianelli, Denis Carrère, Hélène Griveau, Yves Jacquemot, Marie-Pierre Reymond, Matthieu Méchin, Valérie Rossard, Virginie Latrille, Éric Dataset of organic sample near infrared spectra acquired on different spectrometers |
title | Dataset of organic sample near infrared spectra acquired on different spectrometers |
title_full | Dataset of organic sample near infrared spectra acquired on different spectrometers |
title_fullStr | Dataset of organic sample near infrared spectra acquired on different spectrometers |
title_full_unstemmed | Dataset of organic sample near infrared spectra acquired on different spectrometers |
title_short | Dataset of organic sample near infrared spectra acquired on different spectrometers |
title_sort | dataset of organic sample near infrared spectra acquired on different spectrometers |
topic | Data Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7494442/ https://www.ncbi.nlm.nih.gov/pubmed/32984461 http://dx.doi.org/10.1016/j.dib.2020.106264 |
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