Difference between revisions of "Residual.m"
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{{DISPLAYTITLE:residual.m}} __NOTOC__ | {{DISPLAYTITLE:residual.m}} __NOTOC__ | ||
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Sets up interaction tensors under partial ordering in a liquid crystal with the user-supplied order matrix. All adjustable parameters are set during the call to [[create.m]] function. | Sets up interaction tensors under partial ordering in a liquid crystal with the user-supplied order matrix. All adjustable parameters are set during the call to [[create.m]] function. | ||
==Syntax== | ==Syntax== | ||
| − | + | spin_system=residual(spin_system) | |
==Arguments== | ==Arguments== | ||
| − | + | spin_system - the output of create.m containing | |
spin system and interaction infor- | spin system and interaction infor- | ||
mation, which must include the or- | mation, which must include the or- | ||
| Line 15: | Line 16: | ||
==Outputs== | ==Outputs== | ||
| − | + | spin_system - the same object with anisotropic | |
parts of all interaction tensors | parts of all interaction tensors | ||
replaced with their partial order | replaced with their partial order | ||
residuals. | residuals. | ||
| + | |||
| + | Note: this function is only applicable to weak residual order | ||
| + | in high-field NMR spectroscopy. | ||
| + | |||
| + | Note: the function overwrites the interaction tensors supplied | ||
| + | by the user. Relaxation superoperator, if required, must | ||
| + | be computed before this function is called. | ||
| + | |||
| + | Note: this function is invoked automatically by liquid.m con- | ||
| + | text when when parameters.needs cell array contains 'rdc'. | ||
| + | |||
| + | ledwards@cbs.mpg.de | ||
| + | ilya.kuprov@weizmann.ac.il | ||
==Examples== | ==Examples== | ||
| + | |||
Below are the outputs of examples/liquid_crystals/rdc_fourspin.m simulation of CLIP-HSQC experiment on a four-spin system in the presence(left) and absence (right) of residual order. | Below are the outputs of examples/liquid_crystals/rdc_fourspin.m simulation of CLIP-HSQC experiment on a four-spin system in the presence(left) and absence (right) of residual order. | ||
| Line 26: | Line 41: | ||
==Notes== | ==Notes== | ||
| + | |||
# This function is only applicable to high-field NMR. | # This function is only applicable to high-field NMR. | ||
# The function overwrites the interaction tensors supplied by the user. Relaxation superoperator, if required, must be computed before this function is called. | # The function overwrites the interaction tensors supplied by the user. Relaxation superoperator, if required, must be computed before this function is called. | ||
| Line 31: | Line 47: | ||
==See also== | ==See also== | ||
| + | |||
[[dipolar.m]], [[clip_hsqc.m]] | [[dipolar.m]], [[clip_hsqc.m]] | ||
Revision as of 15:06, 5 April 2026
Sets up interaction tensors under partial ordering in a liquid crystal with the user-supplied order matrix. All adjustable parameters are set during the call to create.m function.
Syntax
spin_system=residual(spin_system)
Arguments
spin_system - the output of create.m containing
spin system and interaction infor-
mation, which must include the or-
der matrix
Outputs
spin_system - the same object with anisotropic
parts of all interaction tensors
replaced with their partial order
residuals.
Note: this function is only applicable to weak residual order
in high-field NMR spectroscopy.
Note: the function overwrites the interaction tensors supplied
by the user. Relaxation superoperator, if required, must
be computed before this function is called.
Note: this function is invoked automatically by liquid.m con-
text when when parameters.needs cell array contains 'rdc'.
ledwards@cbs.mpg.de ilya.kuprov@weizmann.ac.il
Examples
Below are the outputs of examples/liquid_crystals/rdc_fourspin.m simulation of CLIP-HSQC experiment on a four-spin system in the presence(left) and absence (right) of residual order.
Notes
- This function is only applicable to high-field NMR.
- The function overwrites the interaction tensors supplied by the user. Relaxation superoperator, if required, must be computed before this function is called.
- This function is involed automatically by liquid.m context when parameters.needs cell array contains 'rdc'.
See also
Version 2.8, authors: Luke Edwards, Ilya Kuprov
