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...
Blog Archives
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...
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...
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...
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...
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...
Hierarchical Cluster Analysis (ChemoSpec) – 02
This is the second derivative spectra of the raw spectra we have sawn in the post: "Hierarchical Cluster Analysis (ChemoSpec) - 01". In that post we saw some clusters, but the distance between the clusters was not high, so it was clear that some m...
Monitor with R: Moisture in Sunflower Seeds Intact
I had the opportunity today to check the performance of a calibration (moisture in intact sunflower seed in reflectance).This is always a exciting moment: Does the performance of the calibration for the new validation set is as expected duri...
Hierarchical Cluster Analysis (ChemoSpec) – 01
I have been in previous post using the ChemoSpec package for some oil data (olive and sunflower). My spectra has now a range from 1100nm to 2200nm and is raw (not treated mathematically) . I want to start using the ChemoSpec package to start using the ...
Olive vs. Sunflower oil Spectra – 002 (ChemoSpec)
I add other data set of “sunflower oil” to import together with the olive oil into ChemoSpec R package. Before, as I showed in a video (Preparing spectra to import into ChemoSpec), every sample has been acquired with a NIR instrument (in transmitta...
Zero Inflated Models and Generalized Linear Mixed Models with R.
Zuur, Saveliev, Ieno (2012).
