Difference between revisions of "Zerofield.m"
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{{DISPLAYTITLE:zerofield.m}} __NOTOC__ | {{DISPLAYTITLE:zerofield.m}} __NOTOC__ | ||
| − | Budker group style gamma-weighted pulse-acquire sequence in zero field. | + | Budker group style gamma-weighted pulse-acquire sequence in zero field. Uses gamma-weighted initial state (corresponding to using a pre-polarisation magnet at high temperature), gamma-weighted pulse operators and gamma-weighted detection state. |
==Syntax== | ==Syntax== | ||
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parameters.sweep - the width of the spectral window (Hz) | parameters.sweep - the width of the spectral window (Hz) | ||
| − | + | ||
parameters.npoints - number time steps in the simulation | parameters.npoints - number time steps in the simulation | ||
| − | + | ||
| + | parameters.detection - 'uniaxial' to emulate common ZULF | ||
| + | hardware, 'quadrature' for proper | ||
| + | frequency sign discrimination | ||
| + | |||
| + | parameters.flip_angle - pulse flip angle in radians for | ||
| + | protons; for other nuclei, this | ||
| + | will be scaled by the gamma ratio | ||
| + | |||
H - Hamiltonian matrix, received from context function | H - Hamiltonian matrix, received from context function | ||
| − | + | ||
R - relaxation superoperator, received from context function | R - relaxation superoperator, received from context function | ||
| − | + | ||
K - kinetics superoperator, received from context function | K - kinetics superoperator, received from context function | ||
| Line 31: | Line 39: | ||
| − | ''Version 2. | + | ''Version 2.5, authors: [[Ilya Kuprov]]'' |
Revision as of 11:25, 20 September 2020
Budker group style gamma-weighted pulse-acquire sequence in zero field. Uses gamma-weighted initial state (corresponding to using a pre-polarisation magnet at high temperature), gamma-weighted pulse operators and gamma-weighted detection state.
Syntax
fid=zerofield(spin_system,parameters,H,R,K)
Arguments
parameters.sweep - the width of the spectral window (Hz)
parameters.npoints - number time steps in the simulation
parameters.detection - 'uniaxial' to emulate common ZULF
hardware, 'quadrature' for proper
frequency sign discrimination
parameters.flip_angle - pulse flip angle in radians for
protons; for other nuclei, this
will be scaled by the gamma ratio
H - Hamiltonian matrix, received from context function
R - relaxation superoperator, received from context function
K - kinetics superoperator, received from context function
Outputs
fid - free induction decay
Examples
Multiple examples are avilable in examples/nmr_zerofield directory. ZULF simulation for pyridine, matching Figure 3 from http://dx.doi.org/10.1021/ja2112405, is reproduced below.
See also
zulf_abrupt.m, acquire.m, assume.m
Version 2.5, authors: Ilya Kuprov
