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

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= Intro =
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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 {{:R2Azero}} = {{:R2Bzero}} is assumed.  The model is labelled as '''NS CPMG 2-site 3D''' 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 whereby the simplification $R^0_{2A} = R^0_{2B}$ is assumed.  The model is labelled as '''NS CPMG 2-site 3D''' in [[Relaxation dispersion citation for relax|relax]].
 
  
 
== Parameters ==
 
== Parameters ==
  
The NS CPMG 2-site 3D model has the parameters {$R_2^0$, $...$, $p_A$, $\Delta\omega$, $k_{ex}$}.
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The NS CPMG 2-site 3D model has the parameters {{{:R2zero}}, ..., {{:pA}}, {{:Deltaomega}}, {{:kex}}}.
  
 
== 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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== See also ==
 
== See also ==
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[[Category:Models]]
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[[Category:Dispersion models]]
 
[[Category:Relaxation dispersion analysis]]
 
[[Category:Relaxation dispersion analysis]]

Latest revision as of 12:55, 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 whereby the simplification R2A0 = R2B0 is assumed. The model is labelled as NS CPMG 2-site 3D in relax.

Parameters

The NS CPMG 2-site 3D model has the parameters {R20, ..., pA, Δω, kex}.

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 the NS CPMG 2-site 3D full model.

Links

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

See also