The Square

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

Spectroscopy

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

RamanBiolib: Open Raman spectral library for biomolecule identification

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

Spectroscopy

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

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

Spectroscopy Imaging and Spectral Imaging

NIR‑HSI hyperspectral scan of a Botticelli‑inspired “Venus” painting detail

Push‑broom NIR‑HSI scan data of a painting detail inspired by Botticelli’s “Venus”.

Spectroscopy

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

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

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.

Spectroscopy Chromatography Nuclear Magnetic Resonance Imaging and Spectral Imaging Others

Collection of datasets of the MCR-ALS website

A comprehensive collection of datasets for MCR-ALS analysis.

Spectroscopy

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

The Square

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

RamanBiolib: Open Raman spectral library for biomolecule identification

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

NIR‑HSI hyperspectral scan of a Botticelli‑inspired “Venus” painting detail

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

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

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

Collection of datasets of the MCR-ALS website

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

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

RamanBiolib: Open Raman spectral library for biomolecule identification

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

NIR‑HSI hyperspectral scan of a Botticelli‑inspired “Venus” painting detail

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

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

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

Collection of datasets of the MCR-ALS website

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