Difference between revisions of "NS CPMG 2-site 3D full"
(Category link updates for the specific analyses.) |
(→Links: Updated the HTML manual link.) |
||
| Line 24: | Line 24: | ||
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/ | + | * [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]. | ||
Revision as of 13:09, 26 November 2014
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 relax.
Parameters
The NS CPMG 2-site 3D full model has the parameters {$R_{2A}^0$, $R_{2B}^0$, $...$, $p_A$, $\Delta\omega$, $k_{ex}$}.
Code
The library code.
http://svn.gna.org/viewcvs/*checkout*/relax/trunk/lib/dispersion/ns_cpmg_2site_3d.py?revision=HEAD
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}, U{https://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:
