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.

NameDescriptionLocated atFormatDownload
NIR API216 samples of granules in glass vials analysed by NIR for predicting e.g. APIUniversity of CopenhagenMATLABGet the data and descriptions
Simulated GCMS dataTool for simple simulations of GCMS dataUniversity of CopenhagenMatlabGet the data
NIR on Bread StalingBread staling over storage with enzymatic treatment measured by NIRUniversity of CopenhagenMatlabGet the data
Cream CheeseSensory profiling of cream cheese dataUniversity of CopenhagenSPSSGet the data
HypericumHPLC three-way data of extracts of St. Johns WortUniversity of CopenhagenMatlabGet the data
PorphyrinsEEM Fluorescence of dairy productsUniversity of CopenhagenMatlabGet the data
Enzyme fermentationProcess fluorescence EEM with enzyme activity measuresUniversity of CopenhagenMatlabGet the data
Wheat kernelsNIR/NIT single seed wheat kernelsUniversity of CopenhagenMatlabGet the data
Yogurt FluorescenceFluorescence of Yoghurt experiment plus Riboflavin referenceUniversity of CopenhagenMatlabGet the data
Three-way elec. nose dataSensor array time series on licorice productsUniversity of CopenhagenMatlabGet the data
FluorescenceDesign data fluorescence measurementsUniversity of CopenhagenMatlabGet the data
TabletsNIR/NIT and Raman spectra of active substance in tabletsUniversity of CopenhagenMatlab / UnscramblerGet the data
MarzipanNIR and IR spectroscopy analysis of 32 marzipan samplesUniversity of CopenhagenMatlabGet the data
Gadoid fish species NMRLow-field NMR measured on four gadoid fish speciesUniversity of CopenhagenMatlabGet the data
Cod NMRNMR measurements for distribution of water in fresh codUniversity of CopenhagenMatlabGet the data
Cod and salmon fluorescenceFluorescence of muscle and connective tissue from cod and salmonUniversity of CopenhagenUnscramblerGet the data
Fish muscle fluorescenceFluorescence excitation-emission measurements of fish muscle extractsUniversity of CopenhagenMatlabGet the data
Parma Ham fluorescenceAuto-fluorescence spectroscopy of dry-cured Parma ham processingUniversity of CopenhagenMatlabGet the data
Kinetic fluorescenceKinetic fluorimetric determination of catecholaminesUniversity of CopenhagenMatlabGet the data
Dorrit fluorescence dataFollows a three-way four-component PARAFAC model, 27 samples.University of CopenhagenMatlabGet the data
Texture PotatoesSensory and physical (uniaxial compression, NIR, LF-NMR) texture measurement of potatoesUniversity of CopenhagenUnscramblerGet the data
Temperature dataInfluence of temperature on vibrational spectraUniversity of AmsterdamMatlab
SW-NIR & UV-Vis kinetic dataThree-way, DECRAUniversity of AmsterdamMatlab
Sugar Process DataThree-way, fluorescence, calibrationUniversity of CopenhagenMatlab
Standardization benchmarkingNIR spectra of corn samples for standardization & preprocessing benchmarkingEigenvectorMatlab
Sensory potato texture profilingFrom three yearsUniversity of CopenhagenUnscrambler
Sensory bread dataThree-way, sensory profiling, fixed vocabularyUniversity of CopenhagenMatlab
Semiconductor metal etchIncluding known faultsEigenvectorMatlabGet the data
Ripening of herring Two-way, physical, chemical, amino acidsUniversity of CopenhagenUnscramblerGet the data
Pollutant Degradation ProfilesHPLC-DADCourtesey of S. Rutan and best downloaded by MSIEMatlab
NIR spectra of diesel fuelsFor testing variables selection and calibration algorithmsEigenvectorMatlabGet the data
NIR on grassSoftware shootout at the IDRC98W. F. McClureMatlab/ASCII
Flow injectionThree-way, spectral, curve resolution, calibrationUniversity of CopenhagenMatlabGet the data
Enzymatic dataFive-way, enzymatic activityUniversity of CopenhagenMatlabGet the data
Color of beefSix-way designed data used for GEMANOVA analysisUniversity of CopenhagenMatlabGet the data
Chromatographic fluorescenceFour-way, retention shiftsUniversity of CopenhagenMatlabGet the data
Amino acid fluorescenceThree-way, five samples, curve resolution, 2. order calibrationUniversity of CopenhagenMatlabGet the data
Wine GC-MS FT-IRWine samples analyzed by GC-MS and FT-IR instrumentsUniversity of CopenhagenMatlabGet the data
DOSY NMRLipoprotein analysis of human plasma samplesUniversity of CopenhagenMatlabGet the data
Mixture design NMRNMR measured on Propanol, butanol and pentanol in a ternary experimental designUniversity of CopenhagenMatlabGet the data
ICP-AESICP-AES measurements of digest of an autocatalytic materialUniversity of CopenhagenMatlabGet the data
Wine NMRThe data from 1H-NMR analysis of 40 table wines, different origin and colorUniversity of CopenhagenMatlabGet the data
Onion NMR1H NMR data of urine from thirty-two rats, fed a diet of onion by-productUniversity of CopenhagenMatlabGet the data
Fluorescence cancerFluorescence EEM data on human blood plasmaUniversity of CopenhagenMatlab
Example tensorsSome example tensors with known problems such as degeneracy, swamps and local minimaUniversity of CopenhagenMatlabGet the data
Olive oilOil samples analyzed by HPLC with charged aerosol detectorUniversity of CopenhagenMatlab
Metabolomic data fusionBiomarker, fluorescence and 1H-NMR data from case/control study on colorectal cancer  University of CopenhagenMatlabGet the data
AutoChromeAutomatically find PARAFAC2 components of hyphenated chromatographic dataUniversity of CopenhagenMatlabGet the data
NIR soilSoil samples from long-term field experiment in Abisko, northern SwedenUniversity of CopenhagenMatlabGet the data
RAMAN pork fat The samples for this study were 16 pork carcassesUniversity of CopenhagenMatlabGet the data
JODA datasetNMR, LC-MS and EEM prototypical experimental coupled data sets for JODAUniversity of CopenhagenMatlabGet the data
Tongue dataThree-way data from the work Richard HarshmanUniversity of CopenhagenTextGet the data
NIRNIR Sugarcane dataUniversity of CopenhagenMatlabGet the data