Author: bugman
Date: Wed Nov 20 16:07:12 2013
New Revision: 21545
URL: http://svn.gna.org/viewcvs/relax?rev=21545&view=rev
Log:
The CR72 dispersion model descriptions now emphasise the fact that it is not
accurate on all time scales.
This is for the dispersion chapter of the user manual.
Modified:
branches/relax_disp/docs/latex/dispersion.tex
branches/relax_disp/docs/latex/dispersion_models.tex
Modified: branches/relax_disp/docs/latex/dispersion.tex
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/docs/latex/dispersion.tex?rev=21545&r1=21544&r2=21545&view=diff
==============================================================================
--- branches/relax_disp/docs/latex/dispersion.tex (original)
+++ branches/relax_disp/docs/latex/dispersion.tex Wed Nov 20 16:07:12 2013
@@ -79,8 +79,8 @@
\begin{description}
\item[`LM63':]\index{relaxation dispersion!LM63 model} The original
\citet{LuzMeiboom63} 2-site fast exchange equation with parameters
$\{\Rtwozero, \dots, \Phiex, \kex\}$. See Section~\ref{sect: dispersion:
LM63 model} on page~\pageref{sect: dispersion: LM63 model}.
\item[`LM63 3-site':]\index{relaxation dispersion!LM63 3-site model} The
original \citet{LuzMeiboom63} 3-site fast exchange equation with parameters
$\{\Rtwozero, \dots, \PhiexB, \kB, \PhiexC, \kC\}$. The equations of
\citet{OConnell09} can be used to approximately convert the parameters
$\{\PhiexB, \kB, \PhiexC, \kC\}$ to more biologically relevant parameters.
See Section~\ref{sect: dispersion: LM63 3-site model} on page~\pageref{sect:
dispersion: LM63 3-site model}.
-\item[`CR72':]\index{relaxation dispersion!CR72 model} The reduced
\citet{CarverRichards72} 2-site equation for all time scales whereby the
simplification $\RtwozeroA = \RtwozeroB$ is assumed. It has the parameters
$\{\Rtwozero, \dots, \pA, \dw, \kex\}$. See Section~\ref{sect: dispersion:
CR72 model} on page~\pageref{sect: dispersion: CR72 model}.
-\item[`CR72 full':]\index{relaxation dispersion!CR72 full model} The full
\citet{CarverRichards72} 2-site equation for all time scales with parameters
$\{\RtwozeroA, \RtwozeroB, \dots, \pA, \dw, \kex\}$. See Section~\ref{sect:
dispersion: CR72 full model} on page~\pageref{sect: dispersion: CR72 full
model}.
+\item[`CR72':]\index{relaxation dispersion!CR72 model} The reduced
\citet{CarverRichards72} 2-site equation for most time scales whereby the
simplification $\RtwozeroA = \RtwozeroB$ is assumed. It has the parameters
$\{\Rtwozero, \dots, \pA, \dw, \kex\}$. See Section~\ref{sect: dispersion:
CR72 model} on page~\pageref{sect: dispersion: CR72 model}.
+\item[`CR72 full':]\index{relaxation dispersion!CR72 full model} The full
\citet{CarverRichards72} 2-site equation for most time scales with parameters
$\{\RtwozeroA, \RtwozeroB, \dots, \pA, \dw, \kex\}$. See Section~\ref{sect:
dispersion: CR72 full model} on page~\pageref{sect: dispersion: CR72 full
model}.
\item[`IT99':]\index{relaxation dispersion!IT99 model} The
\citet{IshimaTorchia99} 2-site model for all time scales with $\pA \gg \pB$
and with parameters $\{\Rtwozero, \dots, \Phiex, \pA.\dw^2, \kex\}$. See
Section~\ref{sect: dispersion: IT99 model} on page~\pageref{sect: dispersion:
IT99 model}.
\item[`TSMFK01':]\index{relaxation dispersion!TSMFK01 model} The
\citet{Tollinger01} 2-site very-slow exchange model for time scales within
range of microsecond to second time scale.
Applicable in the limit of slow exchange, when $|\RtwozeroA - \RtwozeroB|
\ll \kAB, \kBA \ll 1/\taucpmg$. $2*\taucpmg$ is the time between successive
180 degree pulses. Parameters are $\{\RtwozeroA, \dots, \dw, \kAB\}$. See
Section~\ref{sect: dispersion: TSMFK01 model} on page~\pageref{sect:
dispersion: TSMFK01 model}.
@@ -119,7 +119,7 @@
For the MQ CPMG-type experiments, the analytic models currently supported
are:
\begin{description}
-\item[`MQ CR72':]\index{relaxation dispersion!MQ CR72 model} The Carver and
Richards (1972) 2-site model for all time scales expanded for MQ CPMG data by
\citet{Korzhnev04a}. It has the parameters $\{\Rtwozero, \dots, \pA, \dw,
\dwH, \kex\}$. See Section~\ref{sect: dispersion: MQ CR72 model} on
page~\pageref{sect: dispersion: MQ CR72 model}.
+\item[`MQ CR72':]\index{relaxation dispersion!MQ CR72 model} The Carver and
Richards (1972) 2-site model for most time scales expanded for MQ CPMG data
by \citet{Korzhnev04a}. It has the parameters $\{\Rtwozero, \dots, \pA, \dw,
\dwH, \kex\}$. See Section~\ref{sect: dispersion: MQ CR72 model} on
page~\pageref{sect: dispersion: MQ CR72 model}.
\end{description}
@@ -320,7 +320,7 @@
\label{sect: dispersion: CR72 full model}
\index{relaxation dispersion!CR72 full model|textbf}
-This is the model for 2-site exchange on all times scales (with the
constraint that $\pA > \pB$), named after \citet{CarverRichards72}.
+This is the model for 2-site exchange on most times scales (with the
constraint that $\pA > \pB$), named after \citet{CarverRichards72}.
It is selected by setting the model to `CR72 full'.
The equation is
\begin{equation}
@@ -335,6 +335,9 @@
\zeta &= 2\dw \left( \RtwozeroA - \RtwozeroB - \pA\kex + \pB\kex
\right).
\end{align}
+This model is not accurate when the motional process is very slow.
+In that case, the `TSMFK01' model in Section~\ref{sect: dispersion: TSMFK01
model} on page~\pageref{sect: dispersion: TSMFK01 model} should be used
instead.
+
The reference for this equation is:
\begin{itemize}
\item \bibentry{CarverRichards72}
@@ -349,7 +352,7 @@
\label{sect: dispersion: CR72 model}
\index{relaxation dispersion!CR72 model|textbf}
-This is the model for 2-site exchange on all times scales (with the
constraint that $\pA > \pB$), named after \citet{CarverRichards72}.
+This is the model for 2-site exchange on most times scales (with the
constraint that $\pA > \pB$), named after \citet{CarverRichards72}.
It is selected by setting the model to `CR72'.
It is the same as the full CR72 model described above, but with the
simplification that $\RtwozeroA = \RtwozeroB$.
This simplifies the equations to
@@ -363,6 +366,8 @@
\zeta &= -2\dw (\pA\kex - \pB\kex) .
\end{align}
+As mentioned in the `CR72 full' model section, this model is not accurate
when the motional process is very slow.
+In that case please use the `TSMFK01' model in Section~\ref{sect:
dispersion: TSMFK01 model} on page~\pageref{sect: dispersion: TSMFK01 model}
instead.
% IT99 model.
@@ -397,7 +402,7 @@
% TSMFK01 model.
-%~~~~~~~~~~~~
+%~~~~~~~~~~~~~~~
\subsection{The TSMFK01 2-site CPMG model}
\label{sect: dispersion: TSMFK01 model}
@@ -771,7 +776,7 @@
\label{sect: dispersion: MQ CR72 model}
\index{relaxation dispersion!MQ CR72 model|textbf}
-This is the analytic CR72 model for 2-site exchange on all times scales
(Section~\ref{sect: dispersion: CR72 model} on page~\pageref{sect:
dispersion: CR72 model}) extended for multiple quantum data by
\citet{Korzhnev04a}.
+This is the analytic CR72 model for 2-site exchange on most times scales
(Section~\ref{sect: dispersion: CR72 model} on page~\pageref{sect:
dispersion: CR72 model}) extended for multiple quantum data by
\citet{Korzhnev04a}.
It is selected by setting the model to `MQ CR72'.
The simple constraint $\pA > \pB$ is used to halve the optimisation space,
as both sides of the limit are mirror image spaces.
The equation for the exchange process is
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=21545&r1=21544&r2=21545&view=diff
==============================================================================
--- branches/relax_disp/docs/latex/dispersion_models.tex (original)
+++ branches/relax_disp/docs/latex/dispersion_models.tex Wed Nov 20 16:07:12
2013
@@ -39,8 +39,8 @@
LM63 & Analytic & 2 & $\{\Rtwozero, \dots, \Phiex,
\kex\}$ & Fast exchange &
\citet{LuzMeiboom63} \\
LM63 3-site & Analytic & 3 & $\{\Rtwozero, \dots, \PhiexB,
\kB, \PhiexC, \kC\}$ & Fast exchange, $\pA > \pB$ and &
\citet{LuzMeiboom63} \\
& & &
& $\pA > \pC$ \\
-CR72 & Analytic & 2 & $\{\Rtwozero, \dots, \pA, \dw,
\kex\}$ & $\pA > \pB$ &
\citet{CarverRichards72} \\
-CR72 full & Analytic & 2 & $\{\RtwozeroA, \RtwozeroB,
\dots, \pA, \dw, \kex\}$ & $\pA > \pB$ &
\citet{CarverRichards72} \\
+CR72 & Analytic & 2 & $\{\Rtwozero, \dots, \pA, \dw,
\kex\}$ & $\pA > \pB$, not very slow exchange &
\citet{CarverRichards72} \\
+CR72 full & Analytic & 2 & $\{\RtwozeroA, \RtwozeroB,
\dots, \pA, \dw, \kex\}$ & $\pA > \pB$, not very slow exchange &
\citet{CarverRichards72} \\
IT99 & Analytic & 2 & $\{\Rtwozero, \dots, \pA, \dw,
\kex\}$ & $\pA \gg \pB$ &
\citet{IshimaTorchia99} \\
TSMFK01 & Analytic & 2 & $\{\RtwozeroA, \dots, \dw,
\kAB\}$ & $\pA \gg \pB$ &
\citet{Tollinger01} \\
NS CPMG 2-site expanded & Numeric & 2 & $\{\Rtwozero, \dots, \pA, \dw,
\kex\}$ & $\pA > \pB$ &
\citet{Tollinger01} \\
r21545 - in /branches/relax_disp/docs/latex: dispersion.tex dispersion_models.tex