Difference between revisions of "NS CPMG 2-site 3D full"

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= Intro =
 
 
The relaxation dispersion model for the numeric solution (NS) to the Bloch-McConnell equations for [[SQ CPMG-type data]] using 3D magnetisation vectors.  The model is labelled as '''NS CPMG 2-site 3D 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 3D magnetisation vectors.  The model is labelled as '''NS CPMG 2-site 3D full''' in [[Relaxation dispersion citation for relax|relax]].
  
 
== Parameters ==
 
== Parameters ==
  
The NS CPMG 2-site 3D full model has the parameters {$R_{2A}^0$, $R_{2B}^0$, $...$, $p_A$, $\Delta\omega$, $k_{ex}$}.
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The NS CPMG 2-site 3D full model has the parameters {{{:R2Azero}}, {{:R2Bzero}}, ..., {{:pA}}, {{:Deltaomega}}, {{:kex}}}.
  
 
== Code ==
 
== Code ==
  
The library code.<br>
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The library code: {{relax url|path=lib/dispersion/ns_cpmg_2site_3d.py}}
http://svn.gna.org/viewcvs/*checkout*/relax/trunk/lib/dispersion/ns_cpmg_2site_3d.py?revision=HEAD
 
  
 
== References ==
 
== References ==
  
N/A
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The 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.
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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://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 ==
 
== Related models ==
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The [[Relaxation dispersion citation for relax|implementation of the NS CPMG 2-site 3D full model in relax]] can be seen in the:
 
The [[Relaxation dispersion citation for relax|implementation of the NS CPMG 2-site 3D full model in relax]] can be seen in the:
* [http://www.nmr-relax.com/manual/full_NS_2_site_3D_CPMG_model.html relax manual],  
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* [http://www.nmr-relax.com/manual/The_full_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/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_full relaxation dispersion page of the relax website].
 
* [http://www.nmr-relax.com/analyses/relaxation_dispersion.html#NS_CPMG_2-site_3D_full relaxation dispersion page of the relax website].
  
 
== See also ==
 
== See also ==
[[Category:Relaxation_dispersion]]
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[[Category:Models]]
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[[Category:Dispersion models]]
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[[Category:Relaxation dispersion analysis]]

Latest revision as of 13:46, 16 October 2020

The relaxation dispersion model for the numeric solution (NS) to the Bloch-McConnell equations for SQ CPMG-type data using 3D magnetisation vectors. The model is labelled as NS CPMG 2-site 3D full in relax.

Parameters

The NS CPMG 2-site 3D 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_3d.py

References

The 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://thread.gmane.org/gmane.science.nmr.relax.devel/4138}, https://web.archive.org/web/gna.org/task/?7712#comment2 and U{https://gna.org/support/download.php?file_id=18262}).

Related models

The NS CPMG 2-site 3D model is a parametric restriction of this model.

Links

The implementation of the NS CPMG 2-site 3D full model in relax can be seen in the:

See also