Difference between revisions of "NS CPMG 2-site star full"
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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 [[Relaxation dispersion citation for relax|relax]]. | 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 [[Relaxation dispersion citation for relax|relax]]. | ||
== Parameters == | == Parameters == | ||
| − | The NS CPMG 2-site star full model has the parameters { | + | The NS CPMG 2-site star full model has the parameters {{{:R2Azero}}, {{:R2Bzero}}, ..., {{:pA}}, {{:Deltaomega}}, {{:kex}}}. |
== Code == | == Code == | ||
| − | The library code | + | The library code: {{relax url|path=lib/dispersion/ns_cpmg_2site_star.py}} |
| − | |||
== References == | == References == | ||
| − | The function uses an explicit matrix that contains relaxation, exchange and chemical shift terms. It does the | + | 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 | + | The code was submitted on this [http://thread.gmane.org/gmane.science.nmr.relax.devel/4132 mailing list thread] by Paul Schanda. |
== Related models == | == Related models == | ||
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The [[Relaxation dispersion citation for relax|implementation of the NS CPMG 2-site star full model in relax]] can be seen in the: | The [[Relaxation dispersion citation for relax|implementation of the NS CPMG 2-site star full model in relax]] can be seen in the: | ||
| − | * [http://www.nmr-relax.com/manual/ | + | * [http://www.nmr-relax.com/manual/The_full_NS_2_site_star_CPMG_model.html relax manual], |
* [http://www.nmr-relax.com/api/3.1/lib.dispersion.ns_cpmg_2site_star-module.html API documentation], | * [http://www.nmr-relax.com/api/3.1/lib.dispersion.ns_cpmg_2site_star-module.html API documentation], | ||
* [http://www.nmr-relax.com/analyses/relaxation_dispersion.html#NS_CPMG_2-site_star_full relaxation dispersion page of the relax website]. | * [http://www.nmr-relax.com/analyses/relaxation_dispersion.html#NS_CPMG_2-site_star_full relaxation dispersion page of the relax website]. | ||
== See also == | == See also == | ||
| − | [[Category: | + | [[Category:Models]] |
| + | [[Category:Dispersion models]] | ||
| + | [[Category:Relaxation dispersion analysis]] | ||
Latest revision as of 12:20, 27 October 2017
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 {R2A0, R2B0, ..., pA, Δω, kex}.
Code
The library code: https://sourceforge.net/p/nmr-relax/code/ci/master/tree/lib/dispersion/ns_cpmg_2site_star.py
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 this model.
Links
The implementation of the NS CPMG 2-site star full model in relax can be seen in the:
