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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...

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Autores principales: Chauvergne, Céline, Bonnal, Laurent, Bastianelli, Denis, Carrère, Hélène, Griveau, Yves, Jacquemot, Marie-Pierre, Reymond, Matthieu, Méchin, Valérie, Rossard, Virginie, Latrille, Éric
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
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.
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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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