Difference between revisions of "NS CPMG 2-site star full"
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Revision as of 08:00, 11 September 2014
Intro
The relaxation dispersion model for the numeric solution (NS) to the Bloch-McConnell equations for SQ CPMG-type data using complex conjugate matrices. The model is labelled as NS CPMG 2-site star full in relax.
Parameters
The NS CPMG 2-site star full model has the parameters {$R_{2A}^0$, $R_{2B}^0$, $...$, $p_A$, $\Delta\omega$, $k_{ex}$}.
Code
The library code.
http://svn.gna.org/viewcvs/*checkout*/relax/trunk/lib/dispersion/ns_cpmg_2site_star.py?revision=HEAD
References
The function uses an explicit matrix that contains relaxation, exchange and chemical shift terms. It does the 180deg 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 I{Chem. Rev.}, B{104}, 3623-3640. This function was written, initially in MATLAB, in 2010.
The code was submitted at U{http://thread.gmane.org/gmane.science.nmr.relax.devel/4132} by Paul Schanda.
Related models
The NS CPMG 2-site star model is a parametric restriction of this model.
Links
The implementation of the NS CPMG 2-site star full model in relax can be seen in the:
