Author: bugman
Date: Fri Aug 30 15:10:46 2013
New Revision: 20727
URL: http://svn.gna.org/viewcvs/relax?rev=20727&view=rev
Log:
Added the 'NS R1rho 2-site' model to the relax user manual.
This is the numerical model for the 2-site Bloch-McConnell equations for
R1rho data. The code
originates from the funNumrho.m file from the Skrynikov & Tollinger code (the
sim_all.tar file
https://gna.org/support/download.php?file_id=18404 attached to
https://gna.org/task/?7712#comment5).
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=20727&r1=20726&r2=20727&view=diff
==============================================================================
--- branches/relax_disp/docs/latex/dispersion.tex (original)
+++ branches/relax_disp/docs/latex/dispersion.tex Fri Aug 30 15:10:46 2013
@@ -104,11 +104,12 @@
\end{description}
-For the $\Ronerho$-type experiment, only the base models are currently
supported:
+For the $\Ronerho$-type experiment, the models currently supported are:
\begin{description}
\item[`R2eff':]\index{relaxation dispersion!R2eff model} This is the model
used to determine the $\Rtwoeff$ values and errors required as the base data
for all other models. See Section~\ref{sect: dispersion: R2eff model} on
page~\pageref{sect: dispersion: R2eff model}.
\item[`No Rex':]\index{relaxation dispersion!No Rex model} This is the
model for no chemical exchange being present. See Section~\ref{sect:
dispersion: No Rex model} on page~\pageref{sect: dispersion: No Rex model}.
+\item[`NS R1rho 2-site':]\index{relaxation dispersion!NS R1rho 2-site model}
The model for 2-site exchange using 3D magnetisation vectors. It has the
parameters $\{\Ronerhoprime, \dots, \pA, \dw, \kex\}$. See
Section~\ref{sect: dispersion: NS R1rho 2-site model} on page~\pageref{sect:
dispersion: NS R1rho 2-site model}.
\end{description}
@@ -199,15 +200,16 @@
\caption{The analytic and numerical models for $\Ronerho$-type experiments
currently supported within relax.}
\begin{tabular}{lllcll}
\toprule
-Model code & Solution & Sites & Parameters
& Restriction & Reference \\
-\midrule
-R2eff & - & - & $\{\Ronerho, \cdots\}$
& Fixed relaxation time period & - \\
-R2eff & - & - & $\{\Ronerho, I_0, \cdots\}$
& Variable relaxation time period & - \\
-No Rex & Closed & 0 & $\{\Ronerhoprime, \cdots\}$
& - & - \\
-M61 & Analytic & 2 & $\{\Ronerhoprime, \dots, \Phiex, \kex\}$
& Fast exchange, on-resonance, $\Rone = \Rtwo$ & \citet{Meiboom61} \\
-DPL94 & Analytic & 2 & $\{\Ronerhoprime, \dots, \Phiex, \kex\}$
& Fast exchange & \citet{Davis94} \\
-M61 skew & Analytic & 2 & $\{\Ronerhoprime, \dots, \pA, \dw, \kex\}$
& $\pA \gg \pB$, on-resonance & \citet{Meiboom61} \\
-TP02 & Analytic & 2 & $\{\Ronerhoprime, \dots, \pA, \dw, \kex\}$
& Not fast exchange & \citet{TrottPalmer02} \\
+Model code & Solution & Sites & Parameters
& Restriction & Reference \\
+\midrule
+R2eff & - & - & $\{\Ronerho, \cdots\}$
& Fixed relaxation time period & - \\
+R2eff & - & - & $\{\Ronerho, I_0, \cdots\}$
& Variable relaxation time period & - \\
+No Rex & Closed & 0 & $\{\Ronerhoprime, \cdots\}$
& - & - \\
+M61 & Analytic & 2 & $\{\Ronerhoprime, \dots, \Phiex,
\kex\}$ & Fast exchange, on-resonance, $\Rone = \Rtwo$ &
\citet{Meiboom61} \\
+DPL94 & Analytic & 2 & $\{\Ronerhoprime, \dots, \Phiex,
\kex\}$ & Fast exchange & \citet{Davis94} \\
+M61 skew & Analytic & 2 & $\{\Ronerhoprime, \dots, \pA, \dw,
\kex\}$ & $\pA \gg \pB$, on-resonance & \citet{Meiboom61} \\
+TP02 & Analytic & 2 & $\{\Ronerhoprime, \dots, \pA, \dw,
\kex\}$ & Not fast exchange & \citet{TrottPalmer02} \\
+NS R1rho 2-site & Numeric & 2 & $\{\Ronerhoprime, \dots, \pA, \dw,
\kex\}$ & $\pA > \pB$ & - \\
\bottomrule
\label{table: R1rho dispersion models}
\end{tabular}
@@ -590,6 +592,18 @@
This is the numerical model for 2-site exchange expanded using Maple by
Nikolai Skrynnikov.
Is it selected by setting the model to `NS CPMG 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.
+
+
+% NS R1rho 2-site model.
+%~~~~~~~~~~~~~~~~~~~~~~~
+
+\subsection{The NS 2-site $\Ronerho$ model}
+\label{sect: dispersion: NS R1rho 2-site model}
+\index{relaxation dispersion!NS R1rho 2-site model|textbf}
+
+This is the numerical model for 2-site exchange using 3D magnetisation
vectors.
+Is it selected by setting the model to `NS R1rho 2-site'.
The simple constraint $\pA > \pB$ is used to halve the optimisation space,
as both sides of the limit are mirror image spaces.
r20727 - /branches/relax_disp/docs/latex/dispersion.tex