residual.m
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.
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