Author: bugman Date: Wed Jan 15 16:50:56 2014 New Revision: 21993 URL: http://svn.gna.org/viewcvs/relax?rev=21993&view=rev Log: Improvements and addition of many links to the lib.dispersion.ns_cpmg_2site_3d API documentation. This is for the API documentation at: http://www.nmr-relax.com/api/3.1/lib.dispersion.ns_cpmg_2site_3d-module.html. Modified: trunk/lib/dispersion/ns_cpmg_2site_3d.py Modified: trunk/lib/dispersion/ns_cpmg_2site_3d.py URL: http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/ns_cpmg_2site_3d.py?rev=21993&r1=21992&r2=21993&view=diff ============================================================================== --- trunk/lib/dispersion/ns_cpmg_2site_3d.py (original) +++ trunk/lib/dispersion/ns_cpmg_2site_3d.py Wed Jan 15 16:50:56 2014 @@ -3,7 +3,7 @@ # Copyright (C) 2010-2013 Paul Schanda (https://gna.org/users/pasa) # # Copyright (C) 2013 Mathilde Lescanne # # Copyright (C) 2013 Dominique Marion # -# Copyright (C) 2013 Edward d'Auvergne # +# Copyright (C) 2013-2014 Edward d'Auvergne # # # # This file is part of the program relax (http://www.nmr-relax.com). # # # @@ -23,11 +23,28 @@ ############################################################################### # Module docstring. -"""This function performs a numerical fit of 2-site Bloch-McConnell equations for CPMG-type experiments. +"""The numerical fit of 2-site Bloch-McConnell equations for CPMG-type experiments, the U{NS CPMG 2-site 3D<http://wiki.nmr-relax.com/NS_CPMG_2-site_3D>} model. + +Description +=========== 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 http://thread.gmane.org/gmane.science.nmr.relax.devel/4138, https://gna.org/task/?7712#comment2 and https://gna.org/support/download.php?file_id=18262). + +Code origin +=========== + +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<http://thread.gmane.org/gmane.science.nmr.relax.devel/4138>}, U{https://gna.org/task/?7712#comment2<https://gna.org/task/?7712#comment2>} and U{https://gna.org/support/download.php?file_id=18262<https://gna.org/support/download.php?file_id=18262>}). + + +Links +===== + +More information on the NS CPMG 2-site 3D model can be found in the: + + - U{relax wiki<http://wiki.nmr-relax.com/NS_CPMG_2-site_3D>}, + - U{relax manual<http://www.nmr-relax.com/manual/reduced_NS_2_site_3D_CPMG_model.html>}, + - U{relaxation dispersion page of the relax website<http://www.nmr-relax.com/analyses/relaxation_dispersion.html#NS_CPMG_2-site_3D>}. """ # Dependency check module.