Difference between revisions of "Singlerot.m"
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parameters.grid - spherical grid file name. See grids | parameters.grid - spherical grid file name. See grids | ||
directory in the kernel. | directory in the kernel. | ||
| + | parameters.sum_up - when set to 1 (default), returns the | ||
| + | powder average. When set to 0, returns | ||
| + | individual answers for each point in | ||
| + | the powder as a cell array. | ||
Additional subfields may be required by the pulse sequence. The parameters structure is passed to the pulse sequence with the following additional parameters set: | Additional subfields may be required by the pulse sequence. The parameters structure is passed to the pulse sequence with the following additional parameters set: | ||
Revision as of 20:31, 29 December 2017
Fokker-Planck magic angle spinning context. Generates a Liouvillian superoperator and passes it on to the pulse sequence function, which should be supplied as a handle. Syntax:
answer=singlerot(spin_system,pulse_sequence,parameters,assumptions)
where pulse sequence is a function handle to one of the pulse sequences located in the experiments directory, assumptions is a string that would be passed to assume.m when the Hamiltonian is built and parameters is a structure with the following subfields:
parameters.rate - spinning rate in Hz
parameters.axis - spinning axis, given as a normalized
3-element vector
parameters.spins - a cell array giving the spins that
the pulse sequence involves, e.g.
{'1H','13C'}
parameters.offset - a cell array giving transmitter off-
sets in Hz on each of the spins listed
in parameters.spins array
parameters.max_rank - maximum harmonic rank to retain in
the solution (increase till conver-
gence is achieved, approximately
equal to the number of spinning si-
debands in the spectrum)
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.grid - spherical grid file name. See grids
directory in the kernel.
parameters.sum_up - when set to 1 (default), returns the
powder average. When set to 0, returns
individual answers for each point in
the powder as a cell array.
Additional subfields may be required by the pulse sequence. The parameters structure is passed to the pulse sequence with the following additional parameters set:
parameters.spc_dim - matrix dimension for the spatial
dynamics subspace
parameters.spn_dim - matrix dimension for the spin
dynamics subspace
This function returns the powder avrage of whatever it is that the pulse sequence returns.
Note: arbitrary order rotating frame transformation is supported, including infinite order. See rotframe.m for further information.
Note: the state projector assumes a powder -- single crystal MAS is not currently supported.