Author: bugman
Date: Wed Jul 17 17:27:57 2013
New Revision: 20366
URL: http://svn.gna.org/viewcvs/relax?rev=20366&view=rev
Log:
Added the 'NS 2-site expanded' model to the relax user manual.
This is the numerical model for the 2-site Bloch-McConnell equations expanded
using Maple by Nikolai
Skrynnikov. It originates as optimization function number 5 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).
This commit follows step 2 of the relaxation dispersion model addition
tutorial
(http://thread.gmane.org/gmane.science.nmr.relax.devel/3907).
Modified:
branches/relax_disp/docs/latex/dispersion.tex
Modified: branches/relax_disp/docs/latex/dispersion.tex
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/docs/latex/dispersion.tex?rev=20366&r1=20365&r2=20366&view=diff
==============================================================================
--- branches/relax_disp/docs/latex/dispersion.tex (original)
+++ branches/relax_disp/docs/latex/dispersion.tex Wed Jul 17 17:27:57 2013
@@ -107,6 +107,7 @@
\item[`NS 2-site 3D':]\index{relaxation dispersion!NS 2-site 3D model} A
model for 2-site exchange using 3D magnetisation vectors with parameters
$\{\RtwozeroA, \RtwozeroB, \dots, \pA, \dw, \kex\}$. See Section~\ref{sect:
dispersion: NS 2-site 3D model} on page~\pageref{sect: dispersion: NS 2-site
3D model}.
\item[`NS 2-site star red':]\index{relaxation dispersion!NS 2-site star red
model} A model for 2-site exchange using complex conjugate matrices whereby
the simplification $\RtwozeroA = \RtwozeroB$ is assumed. It has the
parameters $\{\Rtwozero, \dots, \pA, \dw, \kex\}$. See Section~\ref{sect:
dispersion: NS 2-site star red model} on page~\pageref{sect: dispersion: NS
2-site star red model}.
\item[`NS 2-site star':]\index{relaxation dispersion!NS 2-site star model}
A model for 2-site exchange using complex conjugate matrices with parameters
$\{\RtwozeroA, \RtwozeroB, \dots, \pA, \dw, \kex\}$. See Section~\ref{sect:
dispersion: NS 2-site star model} on page~\pageref{sect: dispersion: NS
2-site star model}.
+\item[`NS 2-site expanded':]\index{relaxation dispersion!NS 2-site expanded
model} A model for 2-site exchange expanded using Maple by Nikolai
Skrynnikov. It has the parameters $\{\Rtwozero, \dots, \pA, \dw, \kex\}$.
See Section~\ref{sect: dispersion: NS 2-site expanded model} on
page~\pageref{sect: dispersion: NS 2-site expanded model}.
\end{description}
@@ -180,6 +181,7 @@
NS 2-site 3D & Numeric & 2 & $\{\RtwozeroA, \RtwozeroB, \dots,
\pA, \dw, \kex\}$ & $\pA > \pB$ & - \\
NS 2-site star red & Numeric & 2 & $\{\Rtwozero, \dots, \pA, \dw,
\kex\}$ & $\pA > \pB$ & - \\
NS 2-site star & Numeric & 2 & $\{\RtwozeroA, \RtwozeroB, \dots,
\pA, \dw, \kex\}$ & $\pA > \pB$ & - \\
+NS 2-site expanded & Numeric & 2 & $\{\Rtwozero, \dots, \pA, \dw,
\kex\}$ & $\pA > \pB$ & - \\
\bottomrule
\label{table: CPMG dispersion models}
\end{tabular}
@@ -413,6 +415,18 @@
This is the numerical model for 2-site exchange using complex conjugate
matrices, whereby the simplification $\RtwozeroA = \RtwozeroB$ is assumed.
Is it selected by setting the model to `NS 2-site star red'.
+The simple constraint $\pA > \pB$ is used to halve the optimisation space,
as both sides of the limit are mirror image spaces.
+
+
+% NS 2-site expanded model.
+%~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+\subsection{The NS 2-site expanded CPMG model}
+\label{sect: dispersion: NS 2-site expanded model}
+\index{relaxation dispersion!NS 2-site expanded model|textbf}
+
+This is the numerical model for 2-site exchange expanded using Maple by
Nikolai Skrynnikov.
+Is it selected by setting the model to `NS 2-site expanded'.
The simple constraint $\pA > \pB$ is used to halve the optimisation space,
as both sides of the limit are mirror image spaces.
r20366 - /branches/relax_disp/docs/latex/dispersion.tex