Author: bugman Date: Tue Jul 16 09:38:41 2013 New Revision: 20315 URL: http://svn.gna.org/viewcvs/relax?rev=20315&view=rev Log: Added the 'NS 2-site star red' model to the relax user manual. This is the model of the numerical solution for the 2-site Bloch-McConnell equations using complex conjugate matrices, whereby the simplification R20A = R20B is assumed. 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=20315&r1=20314&r2=20315&view=diff ============================================================================== --- branches/relax_disp/docs/latex/dispersion.tex (original) +++ branches/relax_disp/docs/latex/dispersion.tex Tue Jul 16 09:38:41 2013 @@ -102,7 +102,9 @@ \begin{description} \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[`NS 2-site star red':]\index{relaxation dispersion!NS 2-site star red model} A model for 2-site exchange using complex conjugate matrices whereby the simplification R20A = R20B is assumed. It has the parameters $\{\Rtwozero, \dots, \pA, \dw, \kex\}$. See Section~\ref{sect: dispersion: NS 2-site star red model} on page~\pageref{sect: dispersion: NS 2-site star red model}. \item[`NS 2-site star':]\index{relaxation dispersion!NS 2-site star model} A model for 2-site exchange using complex conjugate matrices with parameters $\{\RtwozeroA, \RtwozeroB, \dots, \pA, \dw, \kex\}$. See Section~\ref{sect: dispersion: NS 2-site star model} on page~\pageref{sect: dispersion: NS 2-site star model}. +\end{description} \end{description} @@ -163,15 +165,16 @@ \caption{The analytic and numerical models for CPMG-type experiments currently supported within relax} \begin{tabular}{lllcll} \toprule -Model code & Type & Sites & Parameters & Restriction & Reference \\ -\midrule -R2eff & - & - & $\{\Rtwoeff, \cdots\}$ & Fixed relaxation time period & - \\ -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 & 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 & Numeric & 2 & $\{\RtwozeroA, \RtwozeroB, \dots, \pA, \dw, \kex\}$ & $\pA > \pB$ & - \\ +Model code & Type & Sites & Parameters & Restriction & Reference \\ +\midrule +R2eff & - & - & $\{\Rtwoeff, \cdots\}$ & Fixed relaxation time period & - \\ +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 & 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 & $\{\Rtwozero, \dots, \pA, \dw, \kex\}$ & $\pA > \pB$ & - \\ +NS 2-site star & Numeric & 2 & $\{\RtwozeroA, \RtwozeroB, \dots, \pA, \dw, \kex\}$ & $\pA > \pB$ & - \\ \bottomrule \label{table: CPMG dispersion models} \end{tabular} @@ -346,6 +349,18 @@ \begin{itemize} \item \bibentry{IshimaTorchia99} \end{itemize} + + +% NS 2-site star red model. +%~~~~~~~~~~~~~~~~~~~~~~~~~~ + +\subsection{The NS 2-site star red CPMG model} +\label{sect: dispersion: NS 2-site star red model} +\index{relaxation dispersion!NS 2-site star red model|textbf} + +This is the numerical model for 2-site exchange using complex conjugate matrices, whereby the simplification R20A = R20B is assumed. +Is it selected by setting the model to `NS 2-site star red'. +The simple constraint $\pA > \pB$ is used to halve the optimisation space, as both sides of the limit are mirror image spaces. % NS 2-site star model.