Difference between revisions of "Cgsppm2ang.m"
(Normalise sequential blank lines) |
m (Rename Arguments section heading to Parameters) |
||
| Line 6: | Line 6: | ||
ang=cgsppm2ang(cgsppm) | ang=cgsppm2ang(cgsppm) | ||
| − | == | + | ==Parameters== |
cgsppm - any numerical array of susceptibility | cgsppm - any numerical array of susceptibility | ||
Revision as of 18:47, 5 June 2026
Converts magnetic susceptibility from the cgs-ppm (aka cm^3/mol) units quoted by quantum chemistry packages into Angstrom^3 units required by Spinach pseudocontact shift functionality.
Syntax
ang=cgsppm2ang(cgsppm)
Parameters
cgsppm - any numerical array of susceptibility
values in cgs-ppm
Outputs
ang - array of the same size with suscepti-
bility values in cubic Angstrom
See also
ang2cgsppm.m, ppcs.m, kpcs.m, lpcs.m, hfc2pcs.m, hfc2pms.m
Version 2.3, authors: Ilya Kuprov
