Author: bugman Date: Tue Dec 3 20:15:13 2013 New Revision: 21761 URL: http://svn.gna.org/viewcvs/relax?rev=21761&view=rev Log: Completed the 'MMQ 2-site' documentation in the manual. The equations for the numeric evolution of SQ, ZQ and DQ data was missing. Modified: trunk/docs/latex/dispersion.tex Modified: trunk/docs/latex/dispersion.tex URL: http://svn.gna.org/viewcvs/relax/trunk/docs/latex/dispersion.tex?rev=21761&r1=21760&r2=21761&view=diff ============================================================================== --- trunk/docs/latex/dispersion.tex (original) +++ trunk/docs/latex/dispersion.tex Tue Dec 3 20:15:13 2013 @@ -859,7 +859,43 @@ This is the numerical model for 2-site exchange for proton-heteronuclear SQ, ZQ, DQ and MQ CPMG data, as derived in \citep{Korzhnev04a,Korzhnev04b,Korzhnev05}. It is selected by setting the model to `MMQ 2-site'. 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 +Different sets of equations are used for the different data types. + + +% The SQ, ZD and DQ equations. +\subsubsection{The SQ, ZD and DQ equations} + +The basic evolution matrices for single, zero and double quantum CPMG-type data for this model are +\begin{equation} + \Rtwoeff = - \frac{1}{T_\textrm{relax}} \log \frac{\mathbf{M}_A(T_\textrm{relax})}{\mathbf{M}_A(0)}, +\end{equation} + +where $\mathbf{M}_A(0)$ is proportional to the vector $[\pA, \pB]^T$ and +\begin{equation} + \mathbf{M}_A(T_\textrm{relax}) = \left( \mathbf{A_\pm}\mathbf{A_\mp}\mathbf{A_\mp}\mathbf{A_\pm} \right)^n \mathbf{M}_A(0) +\end{equation} + +The evolution matrix $\mathbf{A}$ is defined as +\begin{equation} + \mathbf{A_\pm} = e^{\mathbf{a_\pm} \cdot \taucpmg}, +\end{equation} + +where +\begin{equation} + \mathbf{a_\pm} = \begin{pmatrix} + -\kAB -\RtwozeroA & \kBA \\ + \kAB & -\kBA \pm\imath\dw - \RtwozeroB + \end{pmatrix}. +\end{equation} + +For different data types $\dw$ is defined as: $\dw$ ($^{15}$N SQ-type data); $\dwH$ ($^1$H SQ-type data); $\dwH - \dw$ (ZQ-type data); and $\dwH + \dw$ (DQ-type data). + + + +% The MQ equations. +\subsubsection{The MQ equations} + +The equation for the exchange process for multiple quantum CPMG-type data is \begin{equation} \Rtwoeff = - \frac{1}{T} \log \left\{ Re \left[ \frac{0.5}{\pA} @@ -942,7 +978,7 @@ % The SQ, ZD and DQ equations. \subsubsection{The SQ, ZD and DQ equations} -The basic evolution matrices for this model are +The basic evolution matrices for single, zero and double quantum CPMG-type data for this model are \begin{equation} \mathbf{A_\pm} = e^{\mathbf{a_\pm} \cdot \taucpmg}, \end{equation} @@ -1018,7 +1054,7 @@ % The SQ, ZD and DQ equations. \subsubsection{The SQ, ZD and DQ equations} -The basic evolution matrices for this model are +The basic evolution matrices for single, zero and double quantum CPMG-type data for this model are \begin{equation} \mathbf{A_\pm} = e^{\mathbf{a_\pm} \cdot \taucpmg}, \end{equation}