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 ==
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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.
 
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}, U{https://gna.org/task/?7712#comment2} and U{https://gna.org/support/download.php?file_id=18262}).
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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