Software archive
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Excel
File: DATASLCT.xls
Description: Demonstration function to halve the number of
variables
Contributed by: Howard Mark (hlmark@prodigy.net)
Matlab
File: crome.zip
Description: A suite of programs which compute correlation
coefficients between pairs of wavelengths from an NIR data set and display them
as a colour plot. See http://www.spectroscopyeurope.com/td_col.html
for more details.
Contributed by: Tony Davies (td@nnirc.co.uk) and Tom Fearn
(tom@stats.ucl.ac.uk)
SAS
Files to accompany "SAS® partial least squares for discriminant analysis" by James B. Reeves, III and Stephen R. Delwiche, JNIRS 16(1), 31-38 (2008).
Download documentation, program and data files.
File: 2004
version of Program II (1766 kB), ZIP File
of Updated Programs and Documentation (53 kB), ZIP
File of Programs (1767 kB), Program
One Documentation (PDF: 139 kB), Program
Two Documentation (PDF: 135 kB), Program
Two Flowchart (PDF: 144 kB)
Description: Programs and documentation for the PLS using SAS,
as described in the paper in Journal of Near Infrared Spectroscopy "SAS®
partial least squares regression for analysis of spectroscopic data"
Contributed by: James B. Reeves, III and Stephen R. Delwiche
Stand-alone application
ParLeS v3.1—Shareware for chemometric analysis of spectroscopic data
Software capabilities:
- join multiple spectroscopic files from single directory into a single file
- numerous preprocessing and pretreatment algorithms
- performs principal components analysis (PCA)
- performs partial least squares regression (PLSR) with delete-n-cross validation
- performs PLSR1 modelling and prediction
- performs bootstrap aggregation PLSR (bagging-PLSR)
- provides options to save all output for external plotting and analyses
- version 3.1 supports interactive outlier detection
Screenshots and a description of this version are available at http://www.usyd.edu.au/agric/acpa/people/rvrossel/soft01.htm
If you would like to use ParLeS, please send email to Raphael VISCARRA ROSSEL (r.viscarra-rossel@usyd.edu.au) briefly explaining your application and your current situation (i.e. student, researcher, working at university, commercial organisation etc.).
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