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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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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.

26 2

Ana M. Jiménez‑Carvelo [1], Luis Cuadros Rodríguez [1] et al.CC BY 4.0 | v 1.0 | 2025-07-28

Spectroscopy Raman

RamanBiolib: Open Raman spectral library for biomolecule identification

Raman spectral library of biomolecules with standardized spectra and peak lists for identification.

28 3

Marcelo Terán [1], José Javier Ruiz [2] et al.ODbL 1.0, GNU GPL v3 | v 1.0 | 2025-08-09

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.

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:

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.

26 2

Ana M. Jiménez‑Carvelo [1], Luis Cuadros Rodríguez [1] et al.CC BY 4.0 | v 1.0 | 2025-07-28

Spectroscopy Raman

RamanBiolib: Open Raman spectral library for biomolecule identification

Raman spectral library of biomolecules with standardized spectra and peak lists for identification.

28 3

Marcelo Terán [1], José Javier Ruiz [2] et al.ODbL 1.0, GNU GPL v3 | v 1.0 | 2025-08-09

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.

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