Penguins: an Easy, NPE-free Gateway to Unpacking and Illustrating NMR Spectra
Project description
Penguins: an Easy, NPE-free Gateway to Unpacking and Illustrating NMR Spectra
pip install penguins
penguins
is a Python 3 package intended mainly for generating publication-quality plots of NMR spectra in a programmatic, reproducible fashion.
Here's a small example of the output (a similar plot to Figure 2 in Angew. Chem. Int. Ed. 2017, 56 (39), 11779–11783):
Documentation can be found at https://penguins.readthedocs.io, although it's not complete yet and arguably not very well-organised (I'm working on it!).
Note that penguins
is still in development, so the interface should not be assumed to be stable.
[Regarding the 'NPE' in the name: I made this package after getting fed up of getting java.lang.NullPointerException
in TopSpin's Plot tab. It's especially bad on OS X Catalina, but even on Windows it's rather buggy. Also, penguins are cute. 🐧]
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