Dilute.m

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

Syntax

    subsystems=dilute(spin_system,isotope,tuples)

Parameters

   spin_system   - spin system object obtained 
                   from create.m function

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

   tuples        - 1 returns all subsystems with
                   a single instance of the isoto-
                   pe, 2 returns all subsystems
                   where two instances of the iso-
                   tope are present, etc.

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 for single-spin dilution. INADEQUATE examples use it for spin pair dilution.

See also

kill_spin.m, create.m, coherence.m, inadequate.m, hsqc.m, hmqc.m, coloc.m, chemshifts.m, cubic_lattice.m, get_coupling.m, gtensorof.m, idxof.m, iselectron.m, isnucleus.m, isoswap.m, nearest_spin.m, shift_iso.m, Kernel_utilities

Version 2.4, authors: Ilya Kuprov, Bud Macaulay, Luke Edwards