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 Q&T, LIFE, KU does not accept any responsibility or liability.

The following software are …..

NameDescription Download
Simulated GC-MSGC-MS datasets are simulated over short retention-time intervalsGet the data
AHIMBUAutomatic hierarchical classification model builder (AHIMBU). An automated tool for complex classification. Check the paper heremodels.Check the paper - check the code (requires PLS_Toolbox)
Multiblock ToolboxM-files for various PCA- and PLS-like multiblock algorithms in MATLABGet the code
PARADISeResolving untargeted GC-MS dataGet the code
Routine for calculating normalized 2D radial pair distributionsCalculations used in paper "The mean hydration of carbohydrates as studied by normalized 2-D radial pair distributions" in Journal of Molecular Graphics and ModelingGet the code
Uni-modality (and monotonic) constrained least squares regressionM-files for unimodality constrained least squares regression.Get the code
PARAFAC for complex-valued problemsUseful e.g. for problems in tele communication
Non-negativity constrained least squares regressionM-files for non-negativity constrained least squares regression.Get the code
The Missing ToolboxSimple functions for handling missing values.Get the code
GEMANOVA model for MATLAB 5/6Model for fitting multi-linear ANOVA models in MATLAB.Get the code
MILES for MATLAB 5/6Algorithm for fitting maximum likelihood models through least squares algorithmsGet the code
Jackknifed PARAFACJackknifing of PARAFAC models - Version 2.03 - self-contained (no need for the Nway Toolbox)Get the code
PARAFAC2 model for MATLAB 5.2Save the file and type - help parafac2 - in MATLAB (Updated Jan 2003).Get the code
Low-field NMR toolbox(Version 3.0 including simplified use by Power-SLICING) Contains algorithms for exponential fitting, phase correction of quadrature data and SLICINGGet the code
INCAImports and prepares fluorometric data from the PE-FLDM for use in MATLAB, e.g., The N-way Toolbox for MATLAB.Get the code
The N-way Toolbox for MATLAB(matlab 7.3) Procedures for fitting PARAFAC, Tucker, N-PLS and other N-way models.Get the code
Extended Multiplicative Signal Correction (EMSC) for MATLABEMSC/EISC signal correctionGet the code
SENSABLEGUI for processing of sensor based dataGet the code
DTW and COWCode for signal alignment by Dynamic Time Warping and/or Correlation Optimized Warping for MatlabGet the code
iToolbox(updated, extended version of the iPLS toolset) Set of interval-based PLS and PCA routines for exploratory investigations.Get the code
PARALIND(aka restricted PARATUCk2) for modeling multi-way data with linear dependenciesGet the code
INDAFACsparse implementation of Levenberg Marquadt algorithm for PARAFAC in MatlabGet the code
Rayleigh scatter correcting PARAFAC of EEM dataFrom "First order Rayleigh scatter as a separate component in the decomposition of fluorescence landscapes", Rinnan, Booksh, Bro Analytica Chimica Acta, Volume 537, Issues 1-2, 29 April 2005, Pages 349-358
Extended Canonical Variates Analysisa discrimination method for collinear data by Lars Nørgaard, Rasmus Bro, Frank Westad, Søren Balling Engelsen
CuBatch is a graphical user interface based on the Matlab environment that can be employed for the analysis and the handling of the most disparate types of data.Get the code
EEMSCATis a tool for removing scatter from EEMs and for interpolating values in the removed areas.
Clusteringis a tool for performing interactive two- and multi-way clustering.Get the code
CONLOADfor calculating correlation loadings and congruence loadings for two-way and multi-way modelsGet the code
iCDFa freeware function to import netCDF files from GC-MS, LC-MS etc. software in MATLABGet the code
Signflipa freeware function to correct for sign ambiguity in SVD/PCA (MATLAB)
Rotation of PCA models a freeware function to rotate and counterotate scores or loadings (MATLAB - uses PLS_Toolbox)Get the code
DOMFluorCharacterizing dissolved organic matter fluorescence with parallel factor analysis.Get the code
icoshiftAn ultra rapid and versatile tool for the alignment of spectral datasetsGet the code
EEMizerautomatically determine the appropriate PARAFAC model for EEM dataGet the code
SMRSparse matrix regression for coclusteringGet the code
FDOMFLuorFDOMcorr Toolbox by Kate Murphy. Simplify and automate correction of DOM EEM dataGet the code
Loads2Chromidentify modelled peaks from GC-MS datasets.Get the code
FastChromProcessing of chromatographic dataGet the code
NSIMCAMulti-way classificationGet the code
CMTF ToolboxCoupled Matrix and Tensor Factorization for MatlabGet the code
PCA bootstrapBootstrap based Confidence Limits in Principal Component AnalysisGet the code
POLYS 2.0An open source software package for building 3D structures of polysaccharidesGet the code
Chromatric Spatial Variance ToolboxMatlab toolbox for RGB image analysis
drEEMMatlab toolbox supporting visualisation and PARAFAC of excitation emission matrices (EEMs)Get the code
AutoChromeMatlab toolbox for automatically finding the right PARAFAC2 model of e.g. GCMS dataGet the code
SCREAMA novel method for multi-way regression problems with shifts and shape changes in one modeGet the code
rPLSRecursive weighted Partial least Squares for variable selectionGet the code
SpiderplotsVisual presentation of factor loadingsGet the code
SPCASparse Principal Component AnalysisGet the code
SPARAFACSparse (non-negative) PARAFACGet the code
HYPERTOOLS Tools for hyperspectral analysis

This software are form other researchers

NameCode byDownload
MVACDF, a multivariate data format standardGet the code
The Standard Dataset Object for MatlabEigenvector
Image Analysis Toolbox IMATcourtesy of Sensory Science, Department of Food Science, KVLGet the code
The PLS-Genetic Algorithm Toolbox courtesy of Riccardo Leardi - University of Genoa, ItalyGet the code
MATLAB Tensor Classes for Fast Algorithm PrototypingB. Bader & T. Kolda
iToolbox GUI 1.01Dr. Giorgio LucianoGet the code
Multi-way VIP for multi-way variable selectionM. Cocchi and coworkers
FPDC Probabilistic clustering.Cristina TororaGet the code
Multi-way PLS regression for R.Casey Kneale

This software are some old stuff

NameDescription Download
PARAFACModels for estimating PARAFAC (old version now covered by the N-way Toolbox)Get the code
GUI iPLS(independent of Command Line iPLS) Interval PLS for variable selection with optimization of interval width.Get the code
Multi-way PLSStandalone M-files for multi-linear partial least squares regression (old version now covered by the N-way Toolbox)Get the code
Three-way Procedures with a three-way datasetTucker, PARAFAC, GRAM, RAFA and misc. 2nd order models with a test data set (old version now covered by the N-way Toolbox)Get the code