Author: bugman
Date: Sat Nov 16 17:12:51 2013
New Revision: 21469
URL: http://svn.gna.org/viewcvs/relax?rev=21469&view=rev
Log:
Added the 'MP05' model to the relax user manual.
This is the Miloushev and Palmer 2005 R1rho analytic model for 2-site
off-resonance exchange.
This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#The_relax_manual.
The 'MP05' model was already partly in the manual, however it was listed as
unimplemented. All of
the tables and the dispersion chapter text has been updated for the model.
Modified:
branches/relax_disp/docs/latex/dispersion.tex
branches/relax_disp/docs/latex/dispersion_models.tex
branches/relax_disp/docs/latex/dispersion_software.tex
Modified: branches/relax_disp/docs/latex/dispersion.tex
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/docs/latex/dispersion.tex?rev=21469&r1=21468&r2=21469&view=diff
==============================================================================
--- branches/relax_disp/docs/latex/dispersion.tex (original)
+++ branches/relax_disp/docs/latex/dispersion.tex Sat Nov 16 17:12:51 2013
@@ -104,6 +104,7 @@
\item[`DPL94':]\index{relaxation dispersion!DPL94 model} The
\citet{Davis94} 2-site fast exchange equation for off-resonance data with
parameters $\{\Ronerhoprime, \dots, \Phiex, \kex\}$. See Section~\ref{sect:
dispersion: DPL94 model} on page~\pageref{sect: dispersion: DPL94 model}.
\item[`M61 skew':]\index{relaxation dispersion!M61 skew model} The
\citet{Meiboom61} 2-site equation for all time scales with $\pA \gg \pB$ and
with parameters $\{\Ronerhoprime, \dots, \pA, \dw, \kex\}$. This model is
disabled by default in the dispersion auto-analysis. See Section~\ref{sect:
dispersion: M61 skew model} on page~\pageref{sect: dispersion: M61 skew
model}.
\item[`TP02':]\index{relaxation dispersion!TP02 model} The
\citet{TrottPalmer02} 2-site equation for all time scales with parameters
$\{\Ronerhoprime, \dots, \pA, \dw, \kex\}$. See Section~\ref{sect:
dispersion: TP02 model} on page~\pageref{sect: dispersion: TP02 model}.
+\item[`MP05':]\index{relaxation dispersion!MP05 model} The
\citet{MiloushevPalmer05} off-resonance 2-site equation for all time scales
with parameters $\{\Ronerhoprime, \dots, \pA, \dw, \kex\}$. See
Section~\ref{sect: dispersion: MP05 model} on page~\pageref{sect: dispersion:
MP05 model}.
\end{description}
@@ -634,6 +635,27 @@
\end{equation}
+% MP05 model.
+%~~~~~~~~~~~~
+
+\subsection{The MP05 2-site exchange $\Ronerho$ model}
+\label{sect: dispersion: MP05 model}
+\index{relaxation dispersion!MP05 model|textbf}
+
+This is the model for 2-site exchange for off-resonance $\Ronerho$-type
experiments from \citet{MiloushevPalmer05}. It is selected by setting the
model to `MP05'. The equation for the exchange process is:
+\begin{align}
+ \Ronerho = & \Rone\cos^2\theta + \Ronerhoprime\sin^2\theta \\
+ & +
\frac{\sin^2\theta\pA\pB\dw^2\kex}{\omega_\textrm{Aeff}^2\omega_\textrm{Beff}^2/\omega_\textrm{eff}^2
+ \kex^2 - \sin^2\theta\pA\pB\dw^2 \left(
+ 1 + \frac{2\kex^2 \left( \pA\omega_\textrm{Aeff}^2 +
\pB\omega_\textrm{Beff}^2
\right)}{\omega_\textrm{Aeff}^2\omega_\textrm{Beff}^2 +
\omega_\textrm{eff}^2\kex^2}
+ \right)}
+\end{align}
+
+The reference for this equation is:
+\begin{itemize}
+\item \bibentry{MiloushevPalmer05}
+\end{itemize}
+
+
% The numeric R1rho models.
%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -839,7 +861,6 @@
\begin{description}
\item[`TAP03':]\index{relaxation dispersion!TAP03 model} The
$\Ronerho$-type data \citet{Trott03} 2-site analytic equation for all time
scales with parameters $\{\Ronerhoprime, \dots, \pA, \dw, \kex\}$.
\item[`TP04':]\index{relaxation dispersion!TP04 model} The $\Ronerho$-type
data \citet{TrottPalmer04} N-site analytic equation for all time scales with
parameters $\{\Ronerhoprime, \dots, \pone, \dots, \pN, \aveomega, \konetwo,
\dots\, \koneN\}$.
-\item[`MP05':]\index{relaxation dispersion!TP04 model} The $\Ronerho$-type
data \citet{MiloushevPalmer05} 2-site analytic equation for all time scales
with parameters $\{\Ronerhoprime, \dots, \pA, \dw, \kex\}$.
\item[`MMQ 3-site linear':]\index{relaxation dispersion!MMQ 3-site linear
model} The model of the numeric solution for linear 3-site exchange for
combined proton-heteronuclear SQ, ZQ, DQ and MQ (MMQ) CPMG-type data.
\item[`MMQ 3-site branched':]\index{relaxation dispersion!MMQ 3-site
branched model} Similar to the `MMQ 3-site linear' model but with one of the
$\kex$ parameters not set to zero.
\item[`NS $\Ronerho$ 3-site linear':]\index{relaxation dispersion!NS R1rho
3-site linear model} The model of the numeric solution for linear 3-site
exchange for $\Ronerho$-type data.
Modified: branches/relax_disp/docs/latex/dispersion_models.tex
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/docs/latex/dispersion_models.tex?rev=21469&r1=21468&r2=21469&view=diff
==============================================================================
--- branches/relax_disp/docs/latex/dispersion_models.tex (original)
+++ branches/relax_disp/docs/latex/dispersion_models.tex Sat Nov 16 17:12:51
2013
@@ -79,7 +79,7 @@
TP02 & Analytic & 2 & $\{\Ronerhoprime, \dots, \pA,
\dw, \kex\}$ & Not fast exchange &
\citet{TrottPalmer02} \\
TAP03\footnotemark[1] & Analytic & 2 & $\{\Ronerhoprime, \dots, \pA,
\dw, \kex\}$ & $\pA > \pB$ & \citet{Trott03} \\
TP04\footnotemark[1] & Analytic & N & $\{\Ronerhoprime, \dots,
\pone, \dots, \pN, \aveomega, \konetwo, \dots\, \koneN\}$ & One site
dominant & \citet{TrottPalmer04} \\
-MP05\footnotemark[1] & Analytic & 2 & $\{\Ronerhoprime, \dots, \pA,
\dw, \kex\}$ & $\pA > \pB$ &
\citet{MiloushevPalmer05} \\
+MP05 & Analytic & 2 & $\{\Ronerhoprime, \dots, \pA,
\dw, \kex\}$ & $\pA > \pB$ &
\citet{MiloushevPalmer05} \\
NS R1rho 2-site & Numeric & 2 & $\{\Ronerhoprime, \dots, \pA,
\dw, \kex\}$ & $\pA > \pB$ & - \\
NS R1rho 3-site (linear)\footnotemark[1] & Numeric & 3 &
$\{\Ronerhoprime, \dots, \pA, \pB, \dwAB, \dwAC,$ & $\pA > \pB$ and $\pA >
\pC$ & - \\
& & & $\dwHAB, \dwHAC, \kexAB,
\kexAC\}$ \\
Modified: branches/relax_disp/docs/latex/dispersion_software.tex
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/docs/latex/dispersion_software.tex?rev=21469&r1=21468&r2=21469&view=diff
==============================================================================
--- branches/relax_disp/docs/latex/dispersion_software.tex (original)
+++ branches/relax_disp/docs/latex/dispersion_software.tex Sat Nov 16
17:12:51 2013
@@ -68,7 +68,7 @@
TP02 & \no & \yes & \no & \no & \no & \no & \no
& \no & \yes \\
TAP03 & \no & \no & \no & \no & \no & \no & \no
& \no & \no \\
TP04 & \no & \no & \no & \no & \no & \no & \no
& \no & \no \\
-MP05 & \no & \no & \no & \no & \no & \no & \no
& \no & \no \\
+MP05 & \no & \no & \no & \no & \no & \no & \no
& \no & \yes \\
NS 2-site & \no & \yes & \no & \no & \no & \no & ?
& \no & \yes \\
NS 3-site (linear) & \no & \yes & \no & \no & \no & \no & \no
& \no & \no \\
NS 3-site (branched) & \no & \yes & \no & \no & \no & \no & \no
& \no & \no \\
r21469 - in /branches/relax_disp/docs/latex: dispersion.tex dispersion_models.tex dispersion_software.tex