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Download
Data Bases
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Algorithms and source code
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 Q&T, LIFE, KU does not accept any
responsibility or liability.
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New
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icoshift - An ultra rapid and versatile tool for the
alignment of spectral datasets |
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DOMFluor - Characterizing dissolved organic matter fluorescence
with parallel factor analysis. |
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Rotation of
PCA models
- a freeware function to rotate and counterotate scores or loadings (MATLAB
- uses PLS_Toolbox) |
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Signflip
- a freeware function to correct for sign ambiguity in SVD/PCA (MATLAB) |
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iCDF
- a freeware function to import netCDF files from GC-MS, LC-MS etc. software
in MATLAB |
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CONLOAD for calculating
correlation loadings and congruence loadings for two-way and multi-way
models |
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Clustering
is a tool for performing interactive two- and multi-way clustering. |
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EEMSCAT is a tool for removing
scatter from EEMs and for interpolating values in the removed areas. |
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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. |
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Extended Canonical Variates Analysis - a discrimination method for
collinear data
by Lars Nørgaard, Rasmus Bro, Frank Westad, Søren Balling Engelsen |
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Rayleigh scatter correcting PARAFAC of EEM data from
"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 |
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INDAFAC
sparse implementation of Levenberg Marquadt algorithm for PARAFAC in Matlab |
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PARALIND
for modeling multi-way data with linear dependencies |
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iToolbox
(updated, extended version of the iPLS toolset)
Set of interval-based PLS and PCA routines for exploratory investigations. |
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DTW and COW
Code for signal alignment by Dynamic Time Warping and/or Correlation
Optimized Warping for Matlab |
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SENSABLE
GUI for processing of sensor based data |
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Extended Multiplicative
Signal Correction (EMSC) for MATLAB
EMSC/EISC signal correction
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The N-way Toolbox for MATLAB
(matlab 7.3)
Procedures for fitting PARAFAC, Tucker, N-PLS and other N-way models.
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INCA
Imports and prepares fluorometric data from the PE-FLDM for use in
MATLAB, e.g., The N-way Toolbox for
MATLAB. |
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Low-field
NMR toolbox (Version 3.0 including simplified use by Power-SLICING)
Contains algorithms for exponential
fitting, phase correction of quadrature data and SLICING |
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PARAFAC2 model for MATLAB 5.2
Save the file and type - help parafac2 - in MATLAB (Updated Jan
2003). |
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Jackknifed PARAFAC
Jackknifing of PARAFAC models - Version 2.03 - self-contained (no need for the
Nway Toolbox) |
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MILES
for MATLAB 5/6
Algorithm for fitting maximum likelihood models through least squares
algorithms |
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GEMANOVA model
for MATLAB 5/6
Model for fitting multi-linear ANOVA models in MATLAB. |
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The Missing Toolbox
Simple functions for handling missing values. |
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Non-negativity constrained least squares regression
M-files for non-negativity constrained least squares regression. |
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PARAFAC
for complex-valued problems
Useful e.g. for problems in tele communication |
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Uni-modality (and monotonic) constrained least squares
regression
M-files for unimodality constrained least squares regression. |
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Routine for calculating normalized 2D radial pair distributions
Calculations used in paper "The mean hydration of carbohydrates as
studied by normalized 2-D radial pair distributions" in Journal of
Molecular Graphics and Modeling |
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Multiblock
Toolbox
M-files for various PCA- and PLS-like multiblock algorithms in MATLAB |
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Source Code from other researchers
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iToolbox GUI 1.01 including manual by Dr. Giorgio Luciano, Department of
Chemistry, University of Genoa, Italy |
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MATLAB Tensor Classes for Fast Algorithm Prototyping
by B. Bader & T. Kolda |
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The PLS-Genetic Algorithm Toolbox (courtesy of
Riccardo Leardi - University
of Genoa, Italy) |
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Image Analysis Toolbox
IMAT (courtesy of
Sensory Science, Department of Food Science, KVL)
Methods for extracting global features in images |
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The Standard
Dataset Object For Matlab (by Eigenvector) |
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MVACDF, a
multivariate data format standard |
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Old Q&T source code
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Preferably use
the N-way Toolbox above. The programs below are old versions |
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Three-way Procedures with a three-way data set
Tucker, PARAFAC, GRAM, RAFA and misc. 2nd order models with a test data
set (old version now covered by the N-way Toolbox) |
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Multi-way PLS
Standalone M-files for multi-linear partial least squares regression (old
version now covered by the N-way Toolbox) |
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GUI
iPLS (independent of Command Line iPLS)
Interval PLS for variable selection with optimization of interval width. |
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PARAFAC
Models for estimating PARAFAC (old version now covered by the N-way
Toolbox) |
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 See some download statistics
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Contact rb@kvl.dk
in case of problems and questions to these pages |
Use this link to other sources of MATLAB code
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