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specstore

In chemometrics (eg vis-NIR spectroscopy) you are analysing a bunch of spectra (a matrix of size nb of samples x nb of wavelength) vs a set of measured variables on the same samples to build up a prediction model. If the pls and chemometrics packages are satisfying to build up such relations, I was after a proper class to handle vis-NIR spectra along with their measured attributes. specstore tries to make the handling of those easier. It should:

  • Store spectra and attributes inside the same object
  • Apply transformations/pre-processing stuff to the spectra
  • Provide a transparent interface towards chemometrics and plsr packages
  • Track transformations applied to the spectra
  • Maybe provide ggplot2 plots?
  • What else?

And yeah, it is a crap name for a package!

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A set of S4 classes and methods to store and manipulate (vis-NIR) spectra.

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