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Department of Food Science - Chemometrics (University of Copenhagen)

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The Square

Browse the latest algorithms, datasets, and tools contributed by the global chemometrics community. Find resources, share your work, and stay updated.

Filter by

Codes Datasets

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Chromatography Mass Spectrometry Spectroscopy Infrared

Wine Samples Analyzed by GC-MS and FT-IR

GC-MS and FT-IR data for 44 Cabernet Sauvignon wines from Argentina, Chile, Australia, and South Africa.

10 1

Thomas Skov, Davide Ballabio et al.CC-BY-4.0 | v1.0 | 2026-02-21

Spectroscopy Infrared Raman

FTIR-ATR and Raman spectral dataset for chemometric classification and quantification of olive oil in edible oil blends

Raw FTIR‑ATR and Raman spectra of olive oil mixtures with edible oils for classification.

51 6

Ana M. Jiménez‑Carvelo, Luis Cuadros Rodríguez et al.CC BY 4.0 | v 1.0 | 2025-07-28

Spectroscopy Infrared

FTIR‑ATR spectra of culinary grain legume flours for pulse classification

FTIR‑ATR spectral data of pulse grain flours (five legume species) for classification purposes.

27 2

Guillaume L. Erny, Elsa Brito et al.CC BY 4.0 | v 1.0 | 2025-07-28

Spectroscopy Imaging and Spectral Imaging UV-Vis Infrared Raman Chromatography Nuclear Magnetic Resonance Others

Collection of datasets of the MCR-ALS website

A comprehensive collection of datasets for MCR-ALS analysis.

25 3

Chemometrics group of IDAEA-CSICCC BY 4.0 | v. 1.0 | 2025-07-27

Thank you for helping us build a stronger, more collaborative chemometric community!

If you’re interested in becoming a contributor, please contact our team for more information or visit our Contributor’s Guide to learn more about the submission process.

Get Started

Sort by:

Chromatography Mass Spectrometry Spectroscopy Infrared

Wine Samples Analyzed by GC-MS and FT-IR

GC-MS and FT-IR data for 44 Cabernet Sauvignon wines from Argentina, Chile, Australia, and South Africa.

10 1

Thomas Skov, Davide Ballabio et al.CC-BY-4.0 | v1.0 | 2026-02-21

Spectroscopy Infrared Raman

FTIR-ATR and Raman spectral dataset for chemometric classification and quantification of olive oil in edible oil blends

Raw FTIR‑ATR and Raman spectra of olive oil mixtures with edible oils for classification.

51 6

Ana M. Jiménez‑Carvelo, Luis Cuadros Rodríguez et al.CC BY 4.0 | v 1.0 | 2025-07-28

Spectroscopy Infrared

FTIR‑ATR spectra of culinary grain legume flours for pulse classification

FTIR‑ATR spectral data of pulse grain flours (five legume species) for classification purposes.

27 2

Guillaume L. Erny, Elsa Brito et al.CC BY 4.0 | v 1.0 | 2025-07-28

Spectroscopy Imaging and Spectral Imaging UV-Vis Infrared Raman Chromatography Nuclear Magnetic Resonance Others

Collection of datasets of the MCR-ALS website

A comprehensive collection of datasets for MCR-ALS analysis.

25 3

Chemometrics group of IDAEA-CSICCC BY 4.0 | v. 1.0 | 2025-07-27