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Experimental spectra, linking to simulated spectra #7

Open cryos opened 5 years ago

cryos commented 5 years ago

Add new collection for experimental spectra, and visualization comparing simulation with experimental.

muammar commented 5 years ago

https://pypi.org/project/jcamp/ -- A set of Python utilities for reading JCAMP-DX files.

muammar commented 5 years ago

I went ahead and created some PRs that are intended to close this issue. My next step is to work on overlaying IRs.

cryos commented 5 years ago

We should look at integrating the the Open Spectral Database hosted here. It has IR spectra and it may have already ingested much of the NIST data (it links to it).

cryos commented 5 years ago

Reopening, we should close this tracking issue out once the complete feature with overlay of experimental spectra in notebooks is complete.

muammar commented 4 years ago

See: https://github.com/OpenChemistry/openchemistrypy/pull/94