Trusted, Bureaucrats
4,223
edits
Changes
Switched to parameter templates.
This is the numerical model for 2-site exchange using 3D magnetisation vectors.
It is selected by setting the model to '''NS R1rho 2-site'''.
The simple constraint $\textrm{p{:pA}_\textrm{A} > \textrm{p{:pB}_\textrm{B}$ is used to halve the optimisation space, as both sides of the limit are mirror image spaces.
For this model, the equations from Korzhnev05 have been used.
The $\mathrm{R{:R1rho}_{1\rho}$ value for state A magnetisation is defined as
<math>
=== Essentials ===
It is essential to read in $R_{1{:R1}}$ values before starting a calculation:
<source lang="python">
relax_data.read(ri_id='R1', ri_type='R1', frq=cdp.spectrometer_frq_list[0], file='R1_values.txt', mol_name_col=1, res_num_col=2, res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6, error_col=7)
== Parameters ==
The NS R1rho 2-site model has the parameters {$R_{1\rho{:R1rhoprime}}'$, $...$, $p_A${{:pA}}, $\Delta\omega${{:Deltaomega}}, $k_{ex{:kex}}$}.
== Reference ==