Dataset Open Access

Spectra transfer models of near infrared spectra of organic waste and plant samples acquired on different spectrometers

Chauvergne, Celine; Latrille, Eric; Rossard, Virginie; Bonnal, Laurent; Bastianelli, Denis; Griveau, Yves; Mechin, Valerie; Jacquemot, Marie-Pierre; Reymond, Matthieu; Carrere, Helene

Contact person(s)
Latrille, Eric
Data manager(s)
Rossard, Virginie

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).
Files (80.2 MB)
Name Size
Appendix_1_list_of_organic_sample_names_of_spectra_transfer_set.xlsx
md5:a6b52536457a12c187ed0239dab29181
15.3 kB Download
Appendix_2_transform_matrix_for_FOSS_to_BUCHI_spectra_transfer_model.tabular
md5:f598e28c3c2be1ee0e666ea3e0971d80
3.3 MB Download
Appendix_3_list_of_organic_sample_names_of_spectra_transfer_validation_set.xlsx
md5:0fa0e00f94b644a4b0e1a8ef3ae3698b
10.8 kB Download
Buchi-NIRFlexN500_cm-1_reflectance_spectra_transfer_set.tabular
md5:a2d18a8acbfe9f00efed48ac03c84fcd
1.6 MB Download
Buchi-NIRFlexN500_cm-1_reflectance_spectra_transfer_validation_set.tabular
md5:f83d232f500aee90b22126f8f1986a29
632.9 kB Download
ChemFlow_history_spectra_transfer_model_from_ANTARIS_to_BUCHI.tar.gz
md5:4febdcd37e36cb1f9f599b938bbe042f
16.0 MB Download
ChemFlow_history_spectra_transfer_model_from_ANTARIS_to_FOSS.tar.gz
md5:b2cbabffaa476fa2486380e1bcc5ba59
10.0 MB Download
ChemFlow_history_spectra_transfer_model_from_BUCHI_to_ANTARIS.tar.gz
md5:c264864b31dd922edf732c728f42c074
13.5 MB Download
ChemFlow_history_spectra_transfer_model_from_BUCHI_to_FOSS.tar.gz
md5:1438cea32b39505e773d49875d0f7c16
12.3 MB Download
ChemFlow_history_spectra_transfer_model_from_FOSS_to_ANTARIS.tar.gz
md5:0c8eb6dbf8ccbace9bce1cabfe8eb5ff
7.7 MB Download
ChemFlow_history_spectra_transfer_model_from_FOSS_to_BUCHI.tar.gz
md5:71e3f69b2f40f2607fc62391ce5ab877
12.2 MB Download
FOSS-NIRSystem5000_nm_absorbance_spectra_transfer_set.tabular
md5:8f16eeec8cf931984068831faff64e6c
496.2 kB Download
FOSS-NIRSystem5000_nm_absorbance_spectra_transfer_validation_set.tabular
md5:19fc644f6bddbf3a4b59b185cc1bfc4f
246.5 kB Download
README.pdf
md5:f293390b7dcca6af8e4071170f0e2de4
825.8 kB Download
ThermoScientific-ANTARIS-II_cm-1_absorbance_spectra_transfer_set.tabular
md5:c3a6c3045073c9ef06b8402f0b255e88
950.0 kB Download
ThermoScientific-ANTARIS-II_cm-1_absorbance_spectra_transfer_validation_set.tabular
md5:c58807592a3574c2674f94b2f85debd2
465.7 kB Download
170
270
views
downloads
Views 170
Downloads 270
Data volume 1.1 GB
Unique views 141
Unique downloads 103

Share

Cite as