Spectra trace simulation from tabel

jjhelmus / nmrglue

A module for working with NMR data in Python

BSD 3-Clause "New" or "Revised" License

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Spectra trace simulation from tabel #156

Open RicardoMBorges opened 2 years ago

RicardoMBorges commented 2 years ago

Hello guys, Do anybody knows a direct/clever way to simulate spectral traces from chemical shifts (and multiplicity) tabels in Python?

Thanks

bryanhanson commented 2 years ago

You might find some thing here. Disclaimer: I maintain that page. Also, packages definitely exist to draw spectra in R starting from chemical shift, multiplicity, coupling constant and area.