Difference between revisions of "Residual.m"
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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. | + | {{DISPLAYTITLE:residual.m}} __NOTOC__ |
| + | 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) | |
| − | + | ==Parameters== | |
| − | by the user. Relaxation superoperator, if required, must | + | |
| − | be computed before this function is called. | + | 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. | ||
| + | |||
| + | ==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. | ||
| + | |||
| + | [[File:clip_hsqc_saupe.png]] [[File:clip_hsqc_nosaupe.png]] | ||
| + | |||
| + | ==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== | ||
| + | [[dipolar.m]], [[clip_hsqc.m]], [[create.m]], [[liquid.m]], [[assume.m]], [[Kernel_functions]], [[Spin_system_specification]] | ||
| + | |||
| + | ''Version 2.8, authors: [[Luke Edwards]], [[Ilya Kuprov]]'' | ||
Latest revision as of 19:40, 6 June 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)
Parameters
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.
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
dipolar.m, clip_hsqc.m, create.m, liquid.m, assume.m, Kernel_functions, Spin_system_specification
Version 2.8, authors: Luke Edwards, Ilya Kuprov
