Addition of simplerspec R package
philipp-baumann opened this issue · 4 comments
Hi Bryan,
thanks for the nice collection. I have been undertaking some steps to streamline spectral processing and modeling, the package is here:
https://github.com/philipp-baumann/simplerspec
Here a short tour d'horizon:
https://github.com/philipp-baumann/simplerspec-pedometron-article
If you feel like this is useful, you could add it on your list.
Cheers,
Philipp
Super Philipp, I will add this in the very near future. I'm currently refining the automatic checking of commit and issue dates, which is a little out of my skill set and so will take a bit more time. But I'm learning!
May I ask, how did you come across FOSS4Spectroscopy? You are the first to add something!
I added simplerspec, but, I need to add some details: Looks like it is geared toward mid-IR data sets, can it work with other types of spectroscopies?
Hi Bryan,
sorry for the late reply, was a bit busy these days. Great, thanks! It is mostly targeted towards IR spectroscopy, both mid-IR and NIR. The data structure is a bit opinionated (using tibble data frames and appending spectral data as list-columns instead of entire matrices), but it can handle both IR ranges. In case of NIR, the X-unit is wavenlength (values are in a separate column called "wavelengths" for raw spectra), and for mid-IR it is wavenumber ("wavenumbers" column). An example of the ASD wrapper for reading spectra is (read_asd_bin, see https://github.com/philipp-baumann/simplerspec/blob/master/R/read-asd.R).
Hope this clarifies. Let me know if you need more infos.
Best, Philipp
OK thanks will update the database, close this issue.