The Square

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

Spectroscopy Raman

RamanBiolib: Open Raman spectral library for biomolecule identification

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

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 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.

The Square

RamanBiolib: Open Raman spectral library for biomolecule identification

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

Collection of datasets of the MCR-ALS website

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

Our supporters

RamanBiolib: Open Raman spectral library for biomolecule identification

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

Collection of datasets of the MCR-ALS website