Author: bugman Date: Sun Nov 17 17:56:41 2013 New Revision: 21490 URL: http://svn.gna.org/viewcvs/relax?rev=21490&view=rev Log: Improvements to all of the R1rho model descriptions in the dispersion chapter of the manual. 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=21490&r1=21489&r2=21490&view=diff ============================================================================== --- branches/relax_disp/docs/latex/dispersion.tex (original) +++ branches/relax_disp/docs/latex/dispersion.tex Sun Nov 17 17:56:41 2013 @@ -579,9 +579,11 @@ \label{sect: dispersion: M61 model} \index{relaxation dispersion!M61 model|textbf} -This is the model for 2-site fast exchange for on-resonance $\Ronerho$-type experiments. It is selected by setting the model to `M61', here named after \citet{Meiboom61}. The equation for the exchange process is: -\begin{equation} - \Ronerho = \Ronerhoprime + \frac{\Phiex\kex}{\kex^2 + \omegae^2} . +This is the model for 2-site fast exchange for on-resonance $\Ronerho$-type data. +It is selected by setting the model to `M61', here named after \citet{Meiboom61}. +The equation for the exchange process is +\begin{equation} + \Ronerho = \Ronerhoprime + \frac{\Phiex\kex}{\kex^2 + \omegae^2}. \end{equation} The reference for this equation is: @@ -597,12 +599,15 @@ \label{sect: dispersion: M61 skew model} \index{relaxation dispersion!M61 skew model|textbf} -This is the second model for 2-site fast exchange for on-resonance $\Ronerho$-type experiments from \citet{Meiboom61}. It is selected by setting the model to `M61 skew'. The equation for the exchange process is: -\begin{equation} - \Ronerho = \Ronerhoprime + \frac{\pA^2\pB\dw^2\kex}{\kex^2 + \pA^2\dw^2 + \omegaone^2} . -\end{equation} - -Care must be taken as this model appears to have infinite lines of solutions -- $\pA$ and $\dw$ are convoluted. Hence this model is disabled in the dispersion auto-analysis. +This is the second model for 2-site fast exchange for on-resonance $\Ronerho$-type data from \citet{Meiboom61}. +It is selected by setting the model to `M61 skew'. +The equation for the exchange process is +\begin{equation} + \Ronerho = \Ronerhoprime + \frac{\pA^2\pB\dw^2\kex}{\kex^2 + \pA^2\dw^2 + \omegaone^2}. +\end{equation} + +Care must be taken as this model appears to have infinite lines of solutions -- $\pA$ and $\dw$ are convoluted. +Hence this model is disabled in the dispersion auto-analysis. % DPL94 model. @@ -612,9 +617,13 @@ \label{sect: dispersion: DPL94 model} \index{relaxation dispersion!DPL94 model|textbf} -This is the model for 2-site fast exchange for $\Ronerho$-type experiments. It is selected by setting the model to `DPL94', here named after \citet{Davis94}. It extends the \citet{Meiboom61} model to off-resonance data. The model collapses to the M61 model for on-resonance data. The equation for the exchange process is: -\begin{equation} - \Ronerho = \Rone \cos^2\theta + \left( \Ronerhoprime + \frac{\Phiex\kex}{\kex^2 + \omegae^2} \right) \sin^2\theta , +This is the model for 2-site fast exchange for $\Ronerho$-type data. +It is selected by setting the model to `DPL94', here named after \citet{Davis94}. +It extends the \citet{Meiboom61} model to off-resonance data. +The model collapses to the M61 model for on-resonance data. +The equation for the exchange process is +\begin{equation} + \Ronerho = \Rone \cos^2\theta + \left( \Ronerhoprime + \frac{\Phiex\kex}{\kex^2 + \omegae^2} \right) \sin^2\theta, \end{equation} where $\theta$ is the rotating frame tilt angle. The reference for this equation is: @@ -630,15 +639,30 @@ \label{sect: dispersion: TP02 model} \index{relaxation dispersion!TP02 model|textbf} -This is the model for 2-site exchange for off-resonance $\Ronerho$-type experiments from \citet{TrottPalmer02}. +This is the model for 2-site exchange for off-resonance $\Ronerho$-type data from \citet{TrottPalmer02}. It is selected by setting the model to `TP02'. -The equation for the exchange process is: -\begin{equation} - \Ronerho = \Rone\cos^2\theta + \left( \Ronerhoprime + \frac{\pA\pB\dw^2\kex}{\omega_\textrm{Aeff}^2\omega_\textrm{Beff}^2/\omega_\textrm{eff}^2 + \kex^2} \right) \sin^2\theta. -\end{equation} +The equation for the exchange process is +\begin{equation} + \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}, +\end{equation} + +in which +\begin{subequations} +\begin{align} + \delta_A &= \omegaA - \omegarf, \\ + \delta_B &= \omegaB - \omegarf, \\ + \aveomega &= \pA\omegaA + \pB\omegaB, \\ + \aveoffset &= \aveomega - \omegarf, \\ + \omega_\textrm{Aeff}^2 &= \omegaone^2 + \delta_A^2, \\ + \omega_\textrm{Beff}^2 &= \omegaone^2 + \delta_B^2, \\ + \omega_\textrm{eff}^2 &= \omegaone^2 + \aveoffset^2, \\ + \theta &= \arctan \left( \frac{\omegaone}{\aveoffset} \right). +\end{align} +\end{subequations} The equation is accurate only when populations are highly skewed with $\pA \gg \pB$. And it is valid only for exchange processes which are not fast. +Note that this model has been superseded by the `TAP03' and `MP05' models. The reference for this equation is: \begin{itemize} \item \bibentry{TrottPalmer02} @@ -652,7 +676,7 @@ \label{sect: dispersion: TAP03 model} \index{relaxation dispersion!TAP03 model|textbf} -This is the model for 2-site exchange for off-resonance $\Ronerho$-type experiments from \citet{Trott03}. +This is the model for 2-site exchange for off-resonance $\Ronerho$-type data from \citet{Trott03}. It is selected by setting the model to `TAP03'. The equation for the exchange process is \begin{align} @@ -661,11 +685,9 @@ \frac{\sin^2\hat\theta\pA\pB\dw^2\kex}{\hat\omega_\textrm{Aeff}^2\hat\omega_\textrm{Beff}^2/\hat\omega_\textrm{eff}^2 + \kex^2 - 2\sin^2\hat\theta\pA\pB\dw^2 + (1 - \gamma)\omegaone^2}, \end{align} -in which +in which, in addition to those parameters defined above for the `TP02' model, \begin{subequations} \begin{align} - \delta_A &= \omegaA - \omegarf, \\ - \delta_B &= \omegaB - \omegarf, \\ \sigma &= \pB\delta_A + \pA\delta_B, \\ \gamma &= 1 - \pA\pB\dw^2 \frac{\sigma^2 - \kex^2 + \omegaone^2}{\left( \sigma^2 + \kex^2 + \omegaone^2 \right)^2}, \\ \hat\omega_\textrm{Aeff}^2 &= \gamma\omegaone^2 + \delta_A^2, \\ @@ -690,14 +712,18 @@ \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 \\ +This is the model for 2-site exchange for off-resonance $\Ronerho$-type data for all time scales 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 \nonumber \\ & + \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} - + \right)}, +\end{align} + +in which the parameters are defined as in the `TP02' model above. +This model supersedes both the `TP02' and `TAP03' models. The reference for this equation is: \begin{itemize} \item \bibentry{MiloushevPalmer05}