liquid.m

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Liquid-phase interface to pulse sequences. Generates a Liouvillian superoperator and passes it on to the pulse sequence function, which should be supplied as a handle. This interface handles RDC mode -- if the 'rdc' need is specified, it would use the order matrix supplied by the user to compute the residual anisotropies of all interactions.

Syntax

    fid=liquid(spin_system,pulse_sequence,parameters,assumptions)

Arguments

 pulse_sequence     - pulse sequence function handle. See the
                      experiments directory for the list of
                      pulse sequences that ship with Spinach.
 
 parameters.spins   - a cell array giving the
                      spins that the pulse sequence works on, in
                      the order of channels, e.g. {'1H','13C'}

 parameters.offset  - a cell array giving
                      transmitter offsets on each of the spins
                      listed in parameters.spins array.

 parameters.needs   - a cell array of strings specifying additional
                      information required by the sequence:

                      'zeeman_op' - Zeeman part of the Hamiltonian
                      in the laboratory frame, to be placed into
                      parameters.hseeman and sent to pulse sequence

                      'rdc' - triggers the processing of residual
                      anisotropic couplings due to partial order

 parameters.rframes - rotating frame specification, e.g.
                      {{'13C',2},{'14N,3}} requests second
                      order rotating frame transformation
                      with respect to carbon-13 and third
                      order rotating frame transformation
                      with respect to nitrogen-14. When
                      this option is used, the assumptions
                      on the respective spins should be
                      laboratory frame.

 parameters.*        - additional subfields may be required by your
                       pulse sequence - check its documentation page 

 assumptions       -  context-specific assumptions ('nmr', 'epr',
                      'labframe', etc.) - see the pulse sequence
                      header for information on this setting.

Outputs

This function returns whatever it is that the pulse sequence returns.

Examples

There are over 100 examples using this context in the example set. The following cases are representative:

dnp_liquids/dnp_liquid_1.m - Overhauser DNP in an electron-nucleus spin system

esr_liquids/relaxation_nitroxide.m - g-hyperfone cross-correlated relaxation in EPR of nitroxide

kinetics/glucose_exsy.m - NOESY and EXSY spectrum of fluorinated glucose in blood

liquid_crystals/rdc_four_spin.m - residual dipolar coupling HSQC in a four-spin system

nmr_proteins/noesy_ubiquitin_theo.m - NOESY spectrum of ubiquitin

nmr_zerofield/zero_field_methanol.m - zero-field NMR spectrum of methanol

spin_chemistry/singlet_yield_1.m - magnetic field dependence of singlet yield in a radical reaction

Notes

Arbitrary order rotating frame transformation is supported, including infinite order. See rotframe.m for further information.

See also

powder.m, floquet.m, roadmap.m, singlerot.m, doublerot.m, imaging.m, gridfree.m, crystal.m


Version 2.2, authors: Ilya Kuprov