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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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Omics Mass Spectrometry Chromatography

Data analysis of an LC-MS dataset from a human urine biofluid cohort study

LC-MS dataset from a human urine biofluid cohort study.

Gonçalo dos Santos CorreiaCC BY 4.0 | v. 1.11 | 2025-07-27

Spectroscopy NIR

MLNIRdata: NIR spectra and densities of hydrocarbon mixtures (208 samples) for property prediction.

208 NIR spectra and densities of hydrocarbon mixtures for chemometrics benchmarks.

16 2

Laurent Duval [1], Louna Alsouki [2] et al.CC BY 4.0 | v 1.0.0 | 2025-08-16

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.

Guillaume L. Erny [1], Elsa Brito [2] et al.CC BY 4.0 | v 1.0 | 2025-07-28

Spectroscopy NIR

Near infrared spectroscopy data for geographical origin traceability of sea cucumber (Apostichopus japonicus) in China

Non-destructive NIR data used to trace the geographical origin of sea cucumber samples from China.

Xiuhan Guo [1][2], Rui Cai [3] et al.CC0 1.0 Universal | v 1.0 | 2025-07-27

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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:

Omics Mass Spectrometry Chromatography

Data analysis of an LC-MS dataset from a human urine biofluid cohort study

LC-MS dataset from a human urine biofluid cohort study.

Gonçalo dos Santos CorreiaCC BY 4.0 | v. 1.11 | 2025-07-27

Spectroscopy NIR

MLNIRdata: NIR spectra and densities of hydrocarbon mixtures (208 samples) for property prediction.

208 NIR spectra and densities of hydrocarbon mixtures for chemometrics benchmarks.

16 2

Laurent Duval [1], Louna Alsouki [2] et al.CC BY 4.0 | v 1.0.0 | 2025-08-16

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.

Guillaume L. Erny [1], Elsa Brito [2] et al.CC BY 4.0 | v 1.0 | 2025-07-28

Spectroscopy NIR

Near infrared spectroscopy data for geographical origin traceability of sea cucumber (Apostichopus japonicus) in China

Non-destructive NIR data used to trace the geographical origin of sea cucumber samples from China.

Xiuhan Guo [1][2], Rui Cai [3] et al.CC0 1.0 Universal | v 1.0 | 2025-07-27

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