Dataset of organic sample near infrared spectra acquired on different spectrometers

Data in Brief

Yves Griveau¹  Denis Bastianelli¹  Laurent Bonnal²  Hélène Carrère²  Céline Chauvergne³  Marie-Pierre Jacquemot³  Valérie Méchin⁴  Matthieu Reymond⁴  Éric Latrille⁴  Virginie Rossard⁴ 

[1] Institut Agro, SELMET, University of Montpellier, CIRAD, INRAE, Montpellier, France;CIRAD, UMR SELMET, F-34398 Montpellier, France;INRAE, Montpellier University, LBE 102 Avenue des Étangs, 11100 Narbonne, France;Institut Jean-Pierre Bourgin, INRAE, AgroParisTech, Université Paris-Saclay, 78000 Versailles, France;

关键词: Near infrared spectroscopy;    Spectrum transfer model;    Chemometrics;    Organic samples;   

DOI  :  

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown