The Square

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

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Department of Food Science - Chemometrics (University of Copenhagen)

The Square

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

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Spectroscopy NIR

Near-infrared (NIR) soil spectral library using the NeoSpectra Handheld NIR Analyzer by Si-Ware

A NIR library of 2,106 soil samples from the US and Africa supports rapid soil property estimation

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.

Spectroscopy Raman

RamanBiolib: Open Raman spectral library for biomolecule identification

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

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.

Spectroscopy UV-Vis

UV–Vis spectra of beet and cane sucrose for classification and quantification

UV–Vis spectra of beet and cane sucrose solutions for classification.

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.

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.

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.

Sort by:

Spectroscopy NIR

Near-infrared (NIR) soil spectral library using the NeoSpectra Handheld NIR Analyzer by Si-Ware

A NIR library of 2,106 soil samples from the US and Africa supports rapid soil property estimation

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.

Spectroscopy Raman

RamanBiolib: Open Raman spectral library for biomolecule identification

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

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.

Spectroscopy UV-Vis

UV–Vis spectra of beet and cane sucrose for classification and quantification

UV–Vis spectra of beet and cane sucrose solutions for classification.

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.

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.

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.

The Square

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

Our supporters

The Square

Near-infrared (NIR) soil spectral library using the NeoSpectra Handheld NIR Analyzer by Si-Ware

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

RamanBiolib: Open Raman spectral library for biomolecule identification

Collection of datasets of the MCR-ALS website

UV–Vis spectra of beet and cane sucrose for classification and quantification

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

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

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

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

Near-infrared (NIR) soil spectral library using the NeoSpectra Handheld NIR Analyzer by Si-Ware

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

RamanBiolib: Open Raman spectral library for biomolecule identification

Collection of datasets of the MCR-ALS website

UV–Vis spectra of beet and cane sucrose for classification and quantification

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

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

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