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NS CPMG 2-site 3D

773 bytes added, 12:55, 16 October 2020
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The relaxation dispersion model for the numeric solution (NS) to the Bloch-McConnell equations for [[SQ CPMG-type data]] using 3D magnetisation vectors whereby the simplification $R^0_{2A{:R2Azero}} = R^0_{2B{:R2Bzero}}$ is assumed. The model is labelled as '''NS CPMG 2-site 3D''' in [[Relaxation dispersion citation for relax|relax]].
== Parameters ==
The NS CPMG 2-site 3D model has the parameters {$R_2^0${{:R2zero}}, $...$, $p_A${{:pA}}, $\Delta\omega${{:Deltaomega}}, $k_{ex{:kex}}$}.
== References ==
NThe function uses an explicit matrix that contains relaxation, exchange and chemical shift terms. It does the 180deg pulses in the CPMG train. The approach of Bloch-McConnell can be found in chapter 3.1 of Palmer, A. G. Chem Rev 2004, 104, 3623-3640. This function was written, initially in MATLAB, in 2010. This is the model of the numerical solution for the 2-site Bloch-McConnell equations. It originates as optimization function number 1 from the fitting_main_kex.py script from Mathilde Lescanne, Paul Schanda, and Dominique Marion (see U{http:/A/thread.gmane.org/gmane.science.nmr.relax.devel/4138}, {{gna task url|7712|comment=2}} and U{https://gna.org/support/download.php?file_id=18262}).
== Related models ==
The [[Relaxation dispersion citation for relax|implementation of the NS CPMG 2-site 3D model in relax]] can be seen in the:
* [http://www.nmr-relax.com/manual/reduced_NS_2_site_3D_CPMG_modelThe_reduced_NS_2_site_3D_CPMG_model.html relax manual],
* [http://www.nmr-relax.com/api/3.1/lib.dispersion.ns_cpmg_2site_3d-module.html API documentation],
* [http://www.nmr-relax.com/analyses/relaxation_dispersion.html#NS_CPMG_2-site_3D relaxation dispersion page of the relax website].
== See also ==
[[Category:Relaxation_dispersionModels]][[Category:Dispersion models]][[Category:Relaxation dispersion analysis]]
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