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NS CPMG 2-site star

Revision as of 13:14, 26 November 2014 by Bugman (talk | contribs) (→‎References: Epydoc to wiki markup fixes.)

Intro

The relaxation dispersion model for the numeric solution (NS) to the Bloch-McConnell equations for SQ CPMG-type data using complex conjugate matrices whereby the simplification $R^0_{2A} = R^0_{2B}$ is assumed. The model is labelled as NS CPMG 2-site star in relax.

Parameters

The NS CPMG 2-site star model has the parameters {$R_2^0$, $...$, $p_A$, $\Delta\omega$, $k_{ex}$}.

References

The function uses an explicit matrix that contains relaxation, exchange and chemical shift terms. It does the 180 deg pulses in the CPMG train with conjugate complex matrices. The approach of Bloch-McConnell can be found in chapter 3.1 of Palmer, A. G. 2004 Chem. Rev., 104, 3623-3640. This function was written, initially in MATLAB, in 2010.

The code was submitted on this mailing list thread by Paul Schanda.

Related models

The NS CPMG 2-site star model is a parametric restriction of the NS CPMG 2-site star full model.

Links

The implementation of the NS CPMG 2-site star model in relax can be seen in the:

See also