Difference between revisions of "Residual.m"

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     spin_system=residual(spin_system)
 
     spin_system=residual(spin_system)
  
==Arguments==
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==Parameters==
  
 
       spin_system  -  the output of create.m containing
 
       spin_system  -  the output of create.m containing
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==See also==
 
==See also==
[[dipolar.m]], [[clip_hsqc.m]]
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[[dipolar.m]], [[clip_hsqc.m]], [[create.m]], [[liquid.m]], [[assume.m]], [[Kernel_functions]], [[Spin_system_specification]]
 
 
[[Spin_system_specification#Liquid_crystal_order_matrix|Liquid crystal order matrix]]
 
 
 
  
 
''Version 2.8, authors: [[Luke Edwards]], [[Ilya Kuprov]]''
 
''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.

Clip hsqc saupe.png Clip hsqc nosaupe.png

Notes

  1. This function is only applicable to high-field NMR.
  2. The function overwrites the interaction tensors supplied by the user. Relaxation superoperator, if required, must be computed before this function is called.
  3. 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