Data sets

IMPORTANT
all downloadable material listed on these pages – appended by specifics mentioned under the individual headers/chapters – is available for public use. Please note that while great care has been taken, the software, code and data are provided “as is” and that the chemometrics group does not accept any responsibility or liability.

Here are some public datasets which can be used for multivariate data analysis. Note, when there is no file extension, just add “.zip” to the end of the downloaded file.

Name	Description	Located at	Format	Download
Cancer fluorescence	Fluorescence of blood samples from 77 persons some which have colorectal cancer	University of Copenhagen	MATLAB	Get the data
NIR API	216 samples of granules in glass vials analysed by NIR for predicting e.g. API	University of Copenhagen	MATLAB	Get the data and descriptions
Simulated GCMS data	Tool for simple simulations of GCMS data	University of Copenhagen	Matlab	Get the data
NIR on Bread Staling	Bread staling over storage with enzymatic treatment measured by NIR	University of Copenhagen	Matlab	Get the data
Cream Cheese	Sensory profiling of cream cheese data	University of Copenhagen	SPSS	Get the data
Hypericum	HPLC three-way data of extracts of St. Johns Wort	University of Copenhagen	Matlab	Get the data
Porphyrins	EEM Fluorescence of dairy products	University of Copenhagen	Matlab	Get the data
Enzyme fermentation	Process fluorescence EEM with enzyme activity measures	University of Copenhagen	Matlab	Get the data
Wheat kernels	NIR/NIT single seed wheat kernels	University of Copenhagen	Matlab	Get the data
Yogurt Fluorescence	Fluorescence of Yoghurt experiment plus Riboflavin reference	University of Copenhagen	Matlab	Get the data
Three-way elec. nose data	Sensor array time series on licorice products	University of Copenhagen	Matlab	Get the data
Fluorescence	Design data fluorescence measurements	University of Copenhagen	Matlab	Get the data
Tablets	NIR/NIT and Raman spectra of active substance in tablets	University of Copenhagen	Matlab / Unscrambler	Get the data
Marzipan	NIR and IR spectroscopy analysis of 32 marzipan samples	University of Copenhagen	Matlab	Get the data
Gadoid fish species NMR	Low-field NMR measured on four gadoid fish species	University of Copenhagen	Matlab	Get the data
Cod NMR	NMR measurements for distribution of water in fresh cod	University of Copenhagen	Matlab	Get the data
Cod and salmon fluorescence	Fluorescence of muscle and connective tissue from cod and salmon	University of Copenhagen	Unscrambler	Get the data
Fish muscle fluorescence	Fluorescence excitation-emission measurements of fish muscle extracts	University of Copenhagen	Matlab	Get the data
Parma Ham fluorescence	Auto-fluorescence spectroscopy of dry-cured Parma ham processing	University of Copenhagen	Matlab	Get the data
Kinetic fluorescence	Kinetic fluorimetric determination of catecholamines	University of Copenhagen	Matlab	Get the data
Dorrit fluorescence data	Follows a three-way four-component PARAFAC model, 27 samples.	University of Copenhagen	Matlab	Get the data
Texture Potatoes	Sensory and physical (uniaxial compression, NIR, LF-NMR) texture measurement of potatoes	University of Copenhagen	Unscrambler	Get the data
Temperature data	Influence of temperature on vibrational spectra	University of Amsterdam	Matlab
SW-NIR & UV-Vis kinetic data	Three-way, DECRA	University of Amsterdam	Matlab
Sugar Process Data	Three-way, fluorescence, calibration	University of Copenhagen	Matlab
Standardization benchmarking	NIR spectra of corn samples for standardization & preprocessing benchmarking	Eigenvector	Matlab
Sensory potato texture profiling	From three years	University of Copenhagen	Unscrambler
Sensory bread data	Three-way, sensory profiling, fixed vocabulary	University of Copenhagen	Matlab
Semiconductor metal etch	Including known faults	Eigenvector	Matlab	Get the data
Ripening of herring	Two-way, physical, chemical, amino acids	University of Copenhagen	Unscrambler	Get the data
Pollutant Degradation Profiles	HPLC-DAD	Courtesey of S. Rutan and best downloaded by MSIE	Matlab
NIR spectra of diesel fuels	For testing variables selection and calibration algorithms	Eigenvector	Matlab	Get the data
NIR on grass	Software shootout at the IDRC98	W. F. McClure	Matlab/ASCII
Flow injection	Three-way, spectral, curve resolution, calibration	University of Copenhagen	Matlab	Get the data
Enzymatic data	Five-way, enzymatic activity	University of Copenhagen	Matlab	Get the data
Color of beef	Six-way designed data used for GEMANOVA analysis	University of Copenhagen	Matlab	Get the data
Chromatographic fluorescence	Four-way, retention shifts	University of Copenhagen	Matlab	Get the data
Amino acid fluorescence	Three-way, five samples, curve resolution, 2. order calibration	University of Copenhagen	Matlab	Get the data
Wine GC-MS FT-IR	Wine samples analyzed by GC-MS and FT-IR instruments	University of Copenhagen	Matlab	Get the data
DOSY NMR	Lipoprotein analysis of human plasma samples	University of Copenhagen	Matlab	Get the data
Mixture design NMR	NMR measured on Propanol, butanol and pentanol in a ternary experimental design	University of Copenhagen	Matlab	Get the data
ICP-AES	ICP-AES measurements of digest of an autocatalytic material	University of Copenhagen	Matlab	Get the data
Wine NMR	The data from 1H-NMR analysis of 40 table wines, different origin and color	University of Copenhagen	Matlab	Get the data
Onion NMR	1H NMR data of urine from thirty-two rats, fed a diet of onion by-product	University of Copenhagen	Matlab	Get the data
Fluorescence cancer	Fluorescence EEM data on human blood plasma	University of Copenhagen	Matlab
Example tensors	Some example tensors with known problems such as degeneracy, swamps and local minima	University of Copenhagen	Matlab	Get the data
Olive oil	Oil samples analyzed by HPLC with charged aerosol detector	University of Copenhagen	Matlab
Metabolomic data fusion	Biomarker, fluorescence and 1H-NMR data from case/control study on colorectal cancer	University of Copenhagen	Matlab	Get the data
AutoChrome	Automatically find PARAFAC2 components of hyphenated chromatographic data	University of Copenhagen	Matlab	Get the data
NIR soil	Soil samples from long-term field experiment in Abisko, northern Sweden	University of Copenhagen	Matlab	Get the data
RAMAN pork fat	The samples for this study were 16 pork carcasses	University of Copenhagen	Matlab	Get the data
JODA dataset	NMR, LC-MS and EEM prototypical experimental coupled data sets for JODA	University of Copenhagen	Matlab	Get the data
Tongue data	Three-way data from the work Richard Harshman	University of Copenhagen	Text	Get the data
NIR	NIR Sugarcane data	University of Copenhagen	Matlab	Get the data