Difference between revisions of "Deer 3p soft hole.m"
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{{DISPLAYTITLE:deer_3p_soft_hole.m}} __NOTOC__ | {{DISPLAYTITLE:deer_3p_soft_hole.m}} __NOTOC__ | ||
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Pulse diagnostics for the three-pulse DEER/PELDOR pulse sequence. This function shows how soft pulses affect the magnetisation of the sample. It is a hypothetical experiment where a soft pulse specified by the user is performed, immediately followed by an ideal pi/2 pulse on all spins followed by infinite-bandwidth time-domain detection. | Pulse diagnostics for the three-pulse DEER/PELDOR pulse sequence. This function shows how soft pulses affect the magnetisation of the sample. It is a hypothetical experiment where a soft pulse specified by the user is performed, immediately followed by an ideal pi/2 pulse on all spins followed by infinite-bandwidth time-domain detection. | ||
==Syntax== | ==Syntax== | ||
| − | + | fids=deer_3p_soft_hole(spin_system,parameters,H,R,K) | |
==Arguments== | ==Arguments== | ||
| − | + | parameters.pulse_frq - frequencies for the three | |
pulses, Hz | pulses, Hz | ||
| − | + | ||
parameters.pulse_pwr - power levels for the three | parameters.pulse_pwr - power levels for the three | ||
pulses, rad/s | pulses, rad/s | ||
| − | + | ||
parameters.pulse_dur - durations for the three | parameters.pulse_dur - durations for the three | ||
pulses, seconds | pulses, seconds | ||
| − | + | ||
| − | parameters.pulse_phi - initial phases for the three | + | parameters.pulse_phi - initial phases for the three |
pulses, radians | pulses, radians | ||
| − | + | ||
parameters.pulse_rnk - Fokker-Planck ranks for the | parameters.pulse_rnk - Fokker-Planck ranks for the | ||
three pulses | three pulses | ||
| − | + | ||
parameters.offset - receiver offset for the time | parameters.offset - receiver offset for the time | ||
domain detection, Hz | domain detection, Hz | ||
| − | + | ||
parameters.sweep - sweep width for time domain | parameters.sweep - sweep width for time domain | ||
detection, Hz | detection, Hz | ||
| − | + | ||
parameters.npoints - number of points in the free | parameters.npoints - number of points in the free | ||
| − | induction decay | + | induction decay |
| − | + | ||
| + | parameters.spins - irradiated spins, normally {'E'} | ||
| + | |||
parameters.rho0 - initial state | parameters.rho0 - initial state | ||
| − | + | ||
parameters.coil - detection state | parameters.coil - detection state | ||
| − | + | ||
parameters.method - soft puse propagation method, | parameters.method - soft puse propagation method, | ||
'expv' for Krylov propagation, | 'expv' for Krylov propagation, | ||
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gation, 'evolution' for Spin- | gation, 'evolution' for Spin- | ||
ach evolution function | ach evolution function | ||
| − | + | ||
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 | ||
==Outputs== | ==Outputs== | ||
| − | + | fids - three free induction decays that should be apo- | |
dised and Fourier transformed | dised and Fourier transformed | ||
==Examples== | ==Examples== | ||
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A good case is the first figure produced by examples/esr_solids/soft_3_pulse_deer_2e.m example file, reproduced below. | A good case is the first figure produced by examples/esr_solids/soft_3_pulse_deer_2e.m example file, reproduced below. | ||
| Line 59: | Line 63: | ||
==Notes== | ==Notes== | ||
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For the method, start with 'expm', change to 'expv' if the calculation runs out of memory, and use 'evolution' as the last resort. | For the method, start with 'expm', change to 'expv' if the calculation runs out of memory, and use 'evolution' as the last resort. | ||
==See also== | ==See also== | ||
| + | |||
[[deer_3p_hard_echo.m]], [[deer_3p_hard_deer.m]], [[deer_analyt.m]], [[eseem.m]], [[oopeseem.m]], [[deer_4p_soft_deer.m]], [[deer_4p_soft_hole.m]], [[deer_4p_soft_diag.m]], [[deer_3p_soft_deer.m]], [[deer_3p_soft_diag.m]] | [[deer_3p_hard_echo.m]], [[deer_3p_hard_deer.m]], [[deer_analyt.m]], [[eseem.m]], [[oopeseem.m]], [[deer_4p_soft_deer.m]], [[deer_4p_soft_hole.m]], [[deer_4p_soft_diag.m]], [[deer_3p_soft_deer.m]], [[deer_3p_soft_diag.m]] | ||
''Version 2.4, authors: [[Ilya Kuprov]]'' | ''Version 2.4, authors: [[Ilya Kuprov]]'' | ||
Revision as of 15:05, 5 April 2026
Pulse diagnostics for the three-pulse DEER/PELDOR pulse sequence. This function shows how soft pulses affect the magnetisation of the sample. It is a hypothetical experiment where a soft pulse specified by the user is performed, immediately followed by an ideal pi/2 pulse on all spins followed by infinite-bandwidth time-domain detection.
Syntax
fids=deer_3p_soft_hole(spin_system,parameters,H,R,K)
Arguments
parameters.pulse_frq - frequencies for the three
pulses, Hz
parameters.pulse_pwr - power levels for the three
pulses, rad/s
parameters.pulse_dur - durations for the three
pulses, seconds
parameters.pulse_phi - initial phases for the three
pulses, radians
parameters.pulse_rnk - Fokker-Planck ranks for the
three pulses
parameters.offset - receiver offset for the time
domain detection, Hz
parameters.sweep - sweep width for time domain
detection, Hz
parameters.npoints - number of points in the free
induction decay
parameters.spins - irradiated spins, normally {'E'}
parameters.rho0 - initial state
parameters.coil - detection state
parameters.method - soft puse propagation method,
'expv' for Krylov propagation,
'expm' for exponential propa-
gation, 'evolution' for Spin-
ach evolution function
H - Hamiltonian matrix, received from context function
R - relaxation superoperator, received from context function
K - kinetics superoperator, received from context function
Outputs
fids - three free induction decays that should be apo-
dised and Fourier transformed
Examples
A good case is the first figure produced by examples/esr_solids/soft_3_pulse_deer_2e.m example file, reproduced below.
Notes
For the method, start with 'expm', change to 'expv' if the calculation runs out of memory, and use 'evolution' as the last resort.
See also
deer_3p_hard_echo.m, deer_3p_hard_deer.m, deer_analyt.m, eseem.m, oopeseem.m, deer_4p_soft_deer.m, deer_4p_soft_hole.m, deer_4p_soft_diag.m, deer_3p_soft_deer.m, deer_3p_soft_diag.m
Version 2.4, authors: Ilya Kuprov
