Difference between revisions of "Stitch.m"
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{{DISPLAYTITLE:stitch.m}} __NOTOC__ | {{DISPLAYTITLE:stitch.m}} __NOTOC__ | ||
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Stitching function for bidirectionally propagated 3D NMR pulse sequences. Propagate your initial condition forward to some midpoint, propagate your detection state backward to the same midpoint and use this function to obtain the 3D free induction decay (http://dx.doi.org/10.1016/j.jmr.2014.04.002) at the price of two 2D simulations. | Stitching function for bidirectionally propagated 3D NMR pulse sequences. Propagate your initial condition forward to some midpoint, propagate your detection state backward to the same midpoint and use this function to obtain the 3D free induction decay (http://dx.doi.org/10.1016/j.jmr.2014.04.002) at the price of two 2D simulations. | ||
==Syntax== | ==Syntax== | ||
| − | fid=stitch(spin_system,L,rho_stack,coil_stack, | + | fid=stitch(spin_system,L,rho_stack,coil_stack,mtp_oper,mtp_time,t1,t2,t3) |
==Arguments== | ==Arguments== | ||
| − | L - spin system Liouvillian | + | L - spin system Liouvillian |
| − | + | ||
rho_stack - state vector stack from the forward part of | rho_stack - state vector stack from the forward part of | ||
the simulation | the simulation | ||
| − | + | ||
coil_stack - coil vector stack from the backward part of | coil_stack - coil vector stack from the backward part of | ||
the sumulation | the sumulation | ||
| − | + | ||
| − | + | mtp_oper - operator for the pulse to be executed in the | |
| − | + | middle of the t2 period | |
| − | + | ||
| − | + | mtp_time - duration for the pulse to be executed in the | |
| − | + | middle of the t2 period | |
| − | + | ||
t1.nsteps - number of time steps in t1 | t1.nsteps - number of time steps in t1 | ||
| − | + | ||
t2.nsteps - number of time steps in t2 | t2.nsteps - number of time steps in t2 | ||
| − | + | ||
t3.nsteps - number of time steps in t3 | t3.nsteps - number of time steps in t3 | ||
| − | |||
| − | |||
| − | |||
==Outputs== | ==Outputs== | ||
| − | fid - three-dimensional free induction decay | + | fid - three-dimensional free induction decay |
==See also== | ==See also== | ||
| − | |||
[[hnco.m]], [[noesyhsqc.m]], [[hncoca.m]] | [[hnco.m]], [[noesyhsqc.m]], [[hncoca.m]] | ||
''Version 2.3, authors: [[Ilya Kuprov]]'' | ''Version 2.3, authors: [[Ilya Kuprov]]'' | ||
Revision as of 15:50, 5 April 2026
Stitching function for bidirectionally propagated 3D NMR pulse sequences. Propagate your initial condition forward to some midpoint, propagate your detection state backward to the same midpoint and use this function to obtain the 3D free induction decay (http://dx.doi.org/10.1016/j.jmr.2014.04.002) at the price of two 2D simulations.
Syntax
fid=stitch(spin_system,L,rho_stack,coil_stack,mtp_oper,mtp_time,t1,t2,t3)
Arguments
L - spin system Liouvillian
rho_stack - state vector stack from the forward part of
the simulation
coil_stack - coil vector stack from the backward part of
the sumulation
mtp_oper - operator for the pulse to be executed in the
middle of the t2 period
mtp_time - duration for the pulse to be executed in the
middle of the t2 period
t1.nsteps - number of time steps in t1
t2.nsteps - number of time steps in t2
t3.nsteps - number of time steps in t3
Outputs
fid - three-dimensional free induction decay
See also
Version 2.3, authors: Ilya Kuprov
