This dataset presents two sets of raw near infrared spectra of different organic samples acquired on three different spectrometers in three labs: NIRFlex N-500 FT-NIR (BUCHI, France, serial number 1000001305) at LBE in Narbonne, NIR-System5000 (FOSS, Denmark, serial number 94630632) at SELMET in Montpellier and ANTARIS II FT-NIR (ThermoFisher Scientific, USA, serial number AHY0800337) at IJPB in Versailles.

A first set of spectra acquired in the same conditions on the three devices was used to create spectra transfer models between the three spectrometers (two by two). Transfer models were created thanks to the Piecewise Direct Standardisation (PDS) function. The resulting spectra transfer model is a transform matrix, allowing to transform spectra by matrix multiplication. Appendix 2 is an example of transform matrix allowing to transform FOSS spectra into BUCHI spectra. The other five transfer models were established in a same way and transform matrices were used alike. A second set of independent spectra was also acquired on the three devices to validate transfer models between spectrometers. Spectra analyses and models were created on ChemFlow (https://vm-chemflow-francegrille.eu/), a free online chemometric software that includes all the necessary functions.

This work was supported by the Biomass For the Future project from the French National Research Agency (ANR, grant ANR-11-BTBR-0006-BFF).