rlx_dd_csa.m

Redfield theory expressions for some relaxation and cross-relaxation rates in a CSA-DD-CSA system with two spin-1/2 particles.

Syntax

    [A,B,X]=rlx_dd_csa(B0,tau_c,isotopes,deltas,coords)

Parameters

   B0       - magnet field, Tesla

   tau_c    - rotational correlation time, seconds

   isotopes - the spins involved, e.g. {'13C','19F'}

   deltas   - a cell array with two symmetric 3x3
              chemical shift tensors in ppm

   coords   - a cell array with two 1x3 Cartesi-
              an coordinate vectors in Angstrom

Outputs

   (A,B).r(1,2).csa   - CSA contribution to R1 and R2
                        rates of spins A and B

   (A,B).r(1,2).dd    - dipolar contribution to R1 and 
                        R2 rates of spins A and B

   (A,B).r(1,2).total - total R1 and R2 rates

   (A,B).trosy.dd     - dipole contribution to the 
                        transverse relaxation rate
                        of TROSY doublet components
                        of spins A and B

   (A,B).trosy.csa    - CSA contribution to the 
                        transverse relaxation rate
                        of TROSY doublet components
                        of spins A and B

   (A,B).trosy.xc     - cross-correlation contribu-
                        tion to the transverse rela-
                        xation rate of TROSY doublet
                        components of spins A and B

   (A,B).trosy.total_bro - transverse relaxation rate of
                           the broad TROSY doublet com-
                           ponent of spins A and B

   (A,B).trosy.total_nar - transverse relaxation rate of
                           the narrow TROSY doublet com-
                           ponent of spins A and B

    X - longitudinal cross-relaxation rate between 

Examples

This function breaks TROSY effect down into its constituent mechanisms. Below is the output of trosy_fluorine_sym.m file in examples/relaxation directory.

Notes

This function was instrumental in our paper on 13C-19F TROSY effect (https://www.nature.com/articles/s41592-019-0334-x).

See also

brokensymm.m, levelpop.m, quad_shift.m, r1csa2tauc.m, r1n_dnp.m, r2csa2tauc.m, rlx_csa.m, rlx_dip.m, rlx_hfc.m, rlx_nqi.m, trosy_eff.m, Textbook module

Version 2.5, authors: Ilya Kuprov