Difference between revisions of "Dilute.m"

From Spinach Documentation Wiki
Jump to: navigation, search
(Outputs)
Line 1: Line 1:
{{DISPLAYTITLE:dilute.m.m}}
+
{{DISPLAYTITLE:dilute.m}}
 
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.
 
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.
  

Revision as of 14:00, 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