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..
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Bonding and J-coupling network output example.ipynb
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Calculating NQR frequencies.ipynb
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Getting started (chemical shifts).ipynb
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Glycine - Plotting chemical shifts.ipynb
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Printing summary tables.ipynb
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Processing disordered EFGs.ipynb
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Selecting atoms.ipynb
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Structural properties.ipynb
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README.md
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backticks.tpl
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gehlenite-sites.png
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glycine-relaxed.png
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ipynbdoctest.py
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