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new software

rl.leonardo's picture
Forums: 

Dear all,
Since there is no forum directly related with tools and/or software, I decided to post my comment here in the spectroscopy forum.
I would like to draw your attention to two new R packages dedicated to the analysis of infrared spectral data. The first one is the 'prospectr' package and it includes several functions for spectral pre-processing as well as for (calibration) sample selection. The second one is the 'resemble' package, it contains functions for modeling complex spectral data based on local regressions. With this package algorithms such as LOCAL and locally weighted PLS regression can be easily reproduced. Both packages are already available the on CRAN package repository (see http://cran.r-project.org/web/packages/prospectr/ ; http://cran.r-project.org/web/packages/resemble/).  
If you want to learn more about these packages or if you want to obtain the last (development) versions of them, then you can visit their respective websites at:
http://antoinestevens.github.io/prospectr/
and
http://l-ramirez-lopez.github.io/resemble/
The 'prospectr'  package also includes the dataset  used for the Chemometric challenge of 'Chimiométrie 2006' ( see http://www.sciencedirect.com/science/article/pii/S0169743907001190 ). The examples in the manuals of both packages are based on this dataset. I hope you find them useful for your applications. If you have any doubt do not hesitate in contact me.  
Cheers,
Leo

hlmark's picture

Leonardo - if you can't find discussion groups that discuss software, you must be casting much too narrow a net. While not exclusive to software, there are at least two discussion groups that I know of that include discussions of software among their topics:
1) The discussion group of the International Chemometrics Society.
2) The LinkedIn discussion group on Multvariate Analysis (MVA)
I'm pretty sure I'e seen discussions of the R language on both of those forums, and the example you present certainly fit the missions of both of those discussion groups
Howard
\o/
/_\
 

rl.leonardo's picture

Thank you Howard for your two suggestions, I agree that those groups are more appropriate for posting news/information on software for NIR analysis
Leo