Author: bugman Date: Tue Jul 16 10:10:33 2013 New Revision: 20321 URL: http://svn.gna.org/viewcvs/relax?rev=20321&view=rev Log: Added the 'CR72 red' model to the relax user manual. This is the Carver and Richards 1972 analytic model with the simplification R20A = R20B. The current 'CR72' makes the same assumption, but that model will be expanded to support R20A and R20B later. 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=20321&r1=20320&r2=20321&view=diff ============================================================================== --- branches/relax_disp/docs/latex/dispersion.tex (original) +++ branches/relax_disp/docs/latex/dispersion.tex Tue Jul 16 10:10:33 2013 @@ -72,6 +72,7 @@ \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[`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[`CR72 red':]\index{relaxation dispersion!CR72 red model} The \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 red model} on page~\pageref{sect: dispersion: CR72 red model}. \item[`CR72':]\index{relaxation dispersion!CR72 model} The \citet{CarverRichards72} 2-site equation for all time scales with parameters $\{\Rtwozero, \dots, \pA, \dw, \kex\}$. See Section~\ref{sect: dispersion: CR72 model} on page~\pageref{sect: dispersion: CR72 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}. \end{description} @@ -171,6 +172,7 @@ R2eff & - & - & $\{\Rtwoeff, I_0, \cdots\}$ & Variable relaxation time period & - \\ No Rex & - & 0 & $\{\Rtwozero, \cdots\}$ & - & - \\ LM63 & Analytic & 2 & $\{\Rtwozero, \dots, \Phiex, \kex\}$ & Fast exchange & \citet{LuzMeiboom63} \\ +CR72 red & Analytic & 2 & $\{\Rtwozero, \dots, \pA, \dw, \kex\}$ & $\pA > \pB$ & \citet{CarverRichards72} \\ CR72 & Analytic & 2 & $\{\Rtwozero, \dots, \pA, \dw, \kex\}$ & $\pA > \pB$ & \citet{CarverRichards72} \\ IT99 & Analytic & 2 & $\{\Rtwozero, \dots, \Phiex, \pA.\dw^2, \kex\}$ & $\pA \gg \pB$ & \citet{IshimaTorchia99} \\ NS 2-site star red & Numeric & 2 & $\{\Rtwozero, \dots, \pA, \dw, \kex\}$ & $\pA > \pB$ & - \\ @@ -283,7 +285,7 @@ -% LM63 model. +% CR72 model. %~~~~~~~~~~~~ \subsection{The CR72 2-site CPMG model} @@ -309,6 +311,29 @@ \end{itemize} For this model, the $\Rtwozero$ relaxation rates for states A and B are assumed to be the same. This simplifies the equations to +\begin{equation} + \Rtwoeff = \Rtwozero + \frac{\kex}{2} - \nucpmg\cosh^{-1} \left( D_+\cosh(\eta_+) - D_-\cos(\eta_- \right) , +\end{equation} + +where $D_\pm$ and $\eta_\pm$ are unchanged and +\begin{align} + \Psi &= \kex^2 - \dw^2 , \\ + \zeta &= -2\dw (\pA\kex - \pB\kex) . +\end{align} + + + +% CR72 red model. +%~~~~~~~~~~~~~~~~ + +\subsection{The CR72 reduced 2-site CPMG model} +\label{sect: dispersion: CR72 red model} +\index{relaxation dispersion!CR72 red model|textbf} + +This is the model for 2-site exchange on all times scales (with the constraint that $\pA > \pB$), named after \citet{CarverRichards72}. +Is it selected by setting the model to `CR72 red'. +It is the same as the CR72 model described above, but with the simplification that $\RtwozeroA = \RtwozeroB$. +This simplifies the equations to \begin{equation} \Rtwoeff = \Rtwozero + \frac{\kex}{2} - \nucpmg\cosh^{-1} \left( D_+\cosh(\eta_+) - D_-\cos(\eta_- \right) , \end{equation}