Difference between revisions of "Dilute.m"

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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:
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{{DISPLAYTITLE:dilute.m.m}}
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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.
  
              spin_systems=dilute(spin_system,isotope)
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==Syntax==
  
where isotope is a character string specifying the isotope to be treated as dilute. A cell array of spin_system objects is returned, with each cell corresponding to one of the newly formed independent isotopomers.
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    spin_systems=dilute(spin_system,isotope)
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==Arguments==
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    spin_system  - spin system object obtained
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                    from create.m function
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    isotope      - isotope specification string,
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                    for example '13C'
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==Outputs==
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    spin_systems  - a cell array of spin system
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                    objects, with each cell cor-
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                    responding to one of the new-
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                    ly formed isotopomers.
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==Examples==
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HSQC and HMQC examples in examples/nmr_liquids folder use this function.
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==Notes==
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Infinite dilution assumed - only one magnetic nucleus of the specified type per molecule.
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==See also==
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[[kill_spin.m]], [[create.m]], [[coherence.m]]
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''Version 2.2, authors: [[Ilya Kuprov]], [[Luke Edwards]]''

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