Publications by jrcuesta
Monitor: Using category labels
I´ve been checking recently the performance of a calibration of compound feed with a set of samples (15): 3 samples of hen feed, 3 of pig feed, 3 of chicken feed, 3 of ovine feed and 3 of cattle feed.The idea is to check if the calibration predicts correctly the results, but in this post I will visualize the plots in order to get conclusions.S...
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PLS2 with "R"
I´ve been working these days with PLS2 calibrations with a chemometric software called “Unscrambler” with a data set called “jam”. I said “can I develop PLS2 models with R?”.I look in the book “Introduction to Multivariate Statistical Analysis in Chemometrics”, and I got the response “Yes, we can”.I have other posts for PLS r...
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PCA with "ChemoSpec" – 001
In my last post about “ChemoSpec package” (Hierarchical Cluster Analysis (ChemoSpec) – 02), we saw the two cluster groups (one for olive oil, other for sunflower oil), and also another sub-clusters for the sunflower oil.Continue reading the manual “ChemoSpec:An R Package for Chemometric Analysis of Spectroscopic Data” by Bry...
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Looking to the PCA scores with GGobi
In this post I continue with the unsupervised exploration of oil spectra, which we have seen in previous post ( PCA with “ChemoSpec” – 001).In the manual “ChemoSpec:An R Package for Chemometric Analysis of Spectroscopic Data“, (page 23) there is a brief description about how to get very nice plots to look to our data in...
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Working with Shootout – 2012 in R (001)
I have downloaded (from the IDRC) the ASCI files of the Shootout 2012 (see: Shootout 2012 files), so I can work with the data to develop a model and predict a Validation Set.For that task I have a “Calibration Set”, and a “Test Set”.We can read details for this task in the IDRC web page: “instructions“.Spectra is ac...
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Shootout 2012: Test & Val Sets proyections
It is obvious (after seeing the spectra of the calibration set), that we have at least three clusters, and that this can be related with the concentration of the active ingredient in the tablets. If we see the scores in the PC1-PC2 score map we will see the three clusters. I have imported the test set into R, and I did project the test set into t...
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"Sample Sets" plots (Shootout-2012)
Histograms of all the sample sets together and individuallyRaw SpectraSpectra treated with MSC (Multiple Scatter correction)Spectra treated with SG filters Related To leave a comment for the author, please follow the link and comment on their blog: NIR-Quimiometria. R-bloggers.com offers daily e-mail updates about R news and tutorials abo...
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VIDEO: Looking to the loadings in R
Related To leave a comment for the author, please follow the link and comment on their blog: NIR-Quimiometria. R-bloggers.com offers daily e-mail updates about R news and tutorials about learning R and many other topics. Click here if you're looking to post or find an R/data-science job. Want to share your content on R-bloggers? click here i...
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VIDEO: Looking to the regression coefficients in R
Related To leave a comment for the author, please follow the link and comment on their blog: NIR-Quimiometria. R-bloggers.com offers daily e-mail updates about R news and tutorials about learning R and many other topics. Click here if you're looking to post or find an R/data-science job. Want to share your content on R-bloggers? click here i...
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Shootout 2012 : first PLS regressions
It´s time to start developing some regressions in order to find the best math treatment, the best number of terms, the best spectral regions, the best regression method,….This time I´m working with the PLS package in R, and just to make more familiarity with it, I us the pls regression, with the full range, and with two math treatments.: M...
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