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.

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

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

Liquid crystal order matrix

Version 2.8, authors: Luke Edwards, Ilya Kuprov