Difference between revisions of "Cyprinol.m"
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==See also== | ==See also== | ||
| − | [[gparse.m]], [[g2spinach.m]], [[strychnine.m]], [[oparse | + | [[gparse.m]], [[g2spinach.m]], [[strychnine.m]], [[oparse.m]], [[simpson2spinach.m]] |
''Version 2.3, authors: [[Bud Macaulay]], [[Ilya Kuprov]]'' | ''Version 2.3, authors: [[Bud Macaulay]], [[Ilya Kuprov]]'' | ||
Revision as of 13:03, 25 April 2026
Spin system of cyprinol. Isotropic chemical shifts and J-couplings are taken from http://dx.doi.org/10.1002/mrc.4782 and, when not given there, estimated by tossing a twenty-sided coin.
Syntax
[sys,inter,bas]=cyprinol()
Outputs
sys - Spinach spin system description structure inter - Spinach interaction description structure bas - Spinach basis set description structure
Examples
HSQC spectrum simulation for cyprinol (examples/nmr_liquids/hsqc_cyprinol.m) appears below.
Notes
If you are looking for a test spin system, strychnine.m is a more complete alternative.
See also
gparse.m, g2spinach.m, strychnine.m, oparse.m, simpson2spinach.m
Version 2.3, authors: Bud Macaulay, Ilya Kuprov
