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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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Nuclear Magnetic Resonance

Low-Field NMR of Four Gadoid Fish Species

Replicated low-field NMR data from whiting, haddock, saithe, and cod with water-content and water-holding-capacity references.

Spectroscopy Nuclear Magnetic Resonance Fluorescence

Metabolomic Data Fusion for Colorectal Cancer Biomarkers

Processed plasma biomarkers, fluorescence PARAFAC scores, and 1H-NMR peak variables from 47 matched colorectal cancer-adenoma pairs.

Nuclear Magnetic Resonance

Ternary Mixture Design NMR Data

NMR spectra and known compositions for 231 ternary mixtures of propanol, butanol, and pentanol.

Nuclear Magnetic Resonance Chromatography Mass Spectrometry Fluorescence

JODA: Prototypical Experimental Coupled Data Sets

Coupled fluorescence, diffusion-NMR, and LC-MS data from designed chemical mixtures.

Nuclear Magnetic Resonance

DOSY NMR Spectroscopy of Human Plasma Lipoproteins

Diffusion-edited NMR spectra and lipoprotein measurements from 25 human plasma samples.

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.

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Low-Field NMR of Four Gadoid Fish Species

Metabolomic Data Fusion for Colorectal Cancer Biomarkers

Ternary Mixture Design NMR Data

JODA: Prototypical Experimental Coupled Data Sets

DOSY NMR Spectroscopy of Human Plasma Lipoproteins

Collection of datasets of the MCR-ALS website

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

Low-Field NMR of Four Gadoid Fish Species

Metabolomic Data Fusion for Colorectal Cancer Biomarkers

Ternary Mixture Design NMR Data

JODA: Prototypical Experimental Coupled Data Sets

DOSY NMR Spectroscopy of Human Plasma Lipoproteins

Collection of datasets of the MCR-ALS website