Posts Tagged ‘ "R" Chemometrics ’

VIDEO: Looking to the regression coefficients in R

November 16, 2012
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VIDEO: Looking to the regression coefficients in R

(This article was first published on NIR-Quimiometria, and kindly contributed to R-bloggers) To leave a comment for the author, please follow the link and comment on his blog: NIR-Quimiometria. R-bloggers.com offers daily e-mail updates about R news and tutorials on topics such as: visualization (ggplot2, Boxplots, maps, animation), programming (RStudio, Sweave, LaTeX, SQL, Eclipse, git, hadoop, Web Scraping) statistics...

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VIDEO: Looking to the loadings in R

November 14, 2012
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VIDEO: Looking to the loadings in R

(This article was first published on NIR-Quimiometria, and kindly contributed to R-bloggers) To leave a comment for the author, please follow the link and comment on his blog: NIR-Quimiometria. R-bloggers.com offers daily e-mail updates about R news and tutorials on topics such as: visualization (ggplot2, Boxplots, maps, animation), programming (RStudio, Sweave, LaTeX, SQL, Eclipse, git, hadoop, Web Scraping) statistics...

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"Sample Sets" plots (Shootout-2012)

November 11, 2012
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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

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Shootout 2012: Test & Val Sets proyections

November 7, 2012
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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 se...

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Working with Shootout – 2012 in R (001)

October 29, 2012
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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 Se...

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Looking to the PCA scores with GGobi

October 21, 2012
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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 brie...

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PCA with "ChemoSpec" – 001

October 20, 2012
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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 "Che...

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PLS2 with "R"

September 22, 2012
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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 An...

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Monitor: Using category labels

July 26, 2012
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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 predi...

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Hierarchical Cluster Analysis (ChemoSpec) – 03

July 25, 2012
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Hierarchical Cluster Analysis (ChemoSpec) – 03

It is clear that we can discriminate between olive oil and sunflower oil, but let´s see the reason for the sub-clusters in the sunflower oil.Samples sflw6da, sflw7da, sflw8da, sflw9da, sflw10da are refined sunflower, so it is filtered and processed, t...

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