Difference between revisions of "Dilute.m"

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(Outputs)
Line 20: Line 20:
 
                     responding to one of the new-
 
                     responding to one of the new-
 
                     ly formed isotopomers.
 
                     ly formed isotopomers.
 
  
 
==Examples==
 
==Examples==

Revision as of 13:59, 3 October 2018

Splits the spin system into several independent subsystems, each containing only one instance of a user specified isotope that is deemed "dilute". All spin system data is updated accordingly and basis set information, if found, is destroyed.

Syntax

    spin_systems=dilute(spin_system,isotope)

Arguments

   spin_system   - spin system object obtained 
                   from create.m function

   isotope       - isotope specification string,
                   for example '13C'

Outputs

   spin_systems  - a cell array of spin system 
                   objects, with each cell cor-
                   responding to one of the new-
                   ly formed isotopomers.

Examples

HSQC and HMQC examples in examples/nmr_liquids folder use this function.

Notes

Infinite dilution assumed - only one magnetic nucleus of the specified type per molecule.

See also

kill_spin.m, create.m, coherence.m


Version 2.2, authors: Ilya Kuprov, Luke Edwards