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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

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

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 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

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

Jonathan Sanderman [1], Colleen Partida [1] et al.CC BY 4.0 | v. 1.2 | 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

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

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 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

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

Jonathan Sanderman [1], Colleen Partida [1] et al.CC BY 4.0 | v. 1.2 | 2025-07-27