"R" : Identifying peaks

December 13, 2012

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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 variability due to the changes in concentration of the Active component in the mixture.

See the video to see how I use the function:

There are two books that I recomend to have to practice Chemometrics in R, you can find the links to get them from Amazon. Now that Christmas time is coming they can be nice presents to somebody. I will use them quite often as Bibliography in this blog.

We can use the identify option to check for the variables in X with the highest extreme loadings. In this case I use the element “rotation” generated by the object “prcomp”.

Let´s use the same salple set as before: Shootout-2012 Calibration Set, and see the video:

As you can see the 216 value has the extreme value in both plots.

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