Blog Archives

Checking validation statistics (Monitor function 030220139)

February 3, 2013
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(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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Looking to boxplots (Shootout 2012)

January 20, 2013
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Looking to boxplots (Shootout 2012)

Boxplots are a nice way to compare the three sample sets of the Shoot-out 2012 data files.There is a category variable (Set) in the data frame with the labels (Cal = Training Set, Test = Test Set and Val = Validation Set). # IMPORTING THE SAMPLE SETS #...

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Standard Normal Variate (SNV: Other way)

January 1, 2013
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This is another way to pre-treat aspectra set with the SNV math-treatment (Standard Normal Variate). You can see the other one in the post : "Standard Normal Variate (SNV)".In this post, I use the R function "sweep".library(ChemometricsWithR)#in a...

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"R" : Identifying peaks

December 13, 2012
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"R" : Identifying peaks

The function "identify"  from "R",  is very useful to check the spectrum for peaks or areas of interest. I use it here to see the wavelength with the highest variability in the Shootout-2012 Calibration Set. This wavelength has a high variabi...

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VIDEO: Working with ChemoSpec (HCA with the scores)

December 2, 2012
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VIDEO: Working with ChemoSpec (HCA with the scores)

(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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Shootout 2012 : first PLS regressions

November 23, 2012
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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 ...

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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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