Author: bugman Date: Fri Jul 19 10:38:31 2013 New Revision: 20405 URL: http://svn.gna.org/viewcvs/relax?rev=20405&view=rev Log: Sectioning improvements for the relaxation dispersion chapter of the relax user 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=20405&r1=20404&r2=20405&view=diff ============================================================================== --- branches/relax_disp/docs/latex/dispersion.tex (original) +++ branches/relax_disp/docs/latex/dispersion.tex Fri Jul 19 10:38:31 2013 @@ -50,18 +50,17 @@ The modelling of relaxation dispersion data can hence be catergorised into these two distinct methodologies: \begin{description} -\item[Analytical models:]\index{relaxation dispersion!Analytical model} Optimisation of models based on analytical, closed-form expressions derived from the Bloch-McConnell equations subject to certain conditions (see Section~\ref{sect: dispersion: analytic models} on page~\pageref{sect: dispersion: analytic models}). +\item[Analytical models:]\index{relaxation dispersion!Analytical model} Optimisation of models based on analytical, closed-form expressions derived from the Bloch-McConnell equations subject to certain conditions (see Section~\ref{sect: dispersion: analytical models} on page~\pageref{sect: dispersion: analytical models}). \item[Numerical models:]\index{relaxation dispersion!Numerical model} Optimisation of models based on numerically solving the Bloch-McConnell equations (see Section~\ref{sect: dispersion: numerical models} on page~\pageref{sect: dispersion: numerical models}). \end{description} -% Analytic models. -%~~~~~~~~~~~~~~~~~ - -\subsection{Analytic models} -\label{sect: dispersion: analytic models} -\index{relaxation dispersion!Analytical model|textbf} +% Implemented models. +%~~~~~~~~~~~~~~~~~~~~ + +\subsection{Implemented models} +\label{sect: dispersion: implemented models} A number of analytic models are supported within relax. If the model you are interested in is not available, see Section~\ref{sect: dispersion: model tutorial} on page~\pageref{sect: dispersion: model tutorial} for how new models can be added to relax. @@ -87,14 +86,6 @@ \item[`M61 skew':]\index{relaxation dispersion!M61 skew model} The \citet{Meiboom61} 2-site equation for all time scales with $\pA \gg \pB$ and with parameters $\{\Ronerhoprime, \dots, \pA, \dw, \kex\}$. This model is disabled by default in the dispersion auto-analysis. See Section~\ref{sect: dispersion: M61 skew model} on page~\pageref{sect: dispersion: M61 skew model}. \end{description} - - -% Numerical models. -%~~~~~~~~~~~~~~~~~~ - -\subsection{Numerical models} -\label{sect: dispersion: numerical models} -\index{relaxation dispersion!Numerical model|textbf} Like the analytic models, a number of numerical models are supported within relax. These models are also dependant upon whether the data originates from a CPMG-type or $\Ronerho$-type experiment. @@ -209,10 +200,19 @@ \end{sidewaystable} + +% The base models. +%%%%%%%%%%%%%%%%%% + +\clearpage + +\section{The base dispersion models} +\label{sect: dispersion: base models} +\index{relaxation dispersion!Base model|textbf} + + % R2eff model. %~~~~~~~~~~~~~ - -\clearpage \subsection{The R2eff model} \label{sect: dispersion: R2eff model} @@ -269,6 +269,14 @@ This model is provided for model selection purposes. In combination with frequentist methods, such as AIC\index{model selection!AIC}, or Bayesian methods\index{model selection!Bayesian} it can show if the presence of chemical exchange is statistically significant. Optimisation is still required as one $\Rtwozero$ value per magnetic field strength will be fit to the measured data for each spin system. It is selected by setting the model to `No Rex'. + + +% The analytical models. +%%%%%%%%%%%%%%%%%%%%%%%% + +\section{The analytical dispersion models} +\label{sect: dispersion: analytical models} +\index{relaxation dispersion!Analytical model|textbf} % LM63 model. @@ -372,66 +380,6 @@ \end{itemize} -% Full NS 2-site 3D model. -%~~~~~~~~~~~~~~~~~~~~~~~~~ - -\subsection{The full NS 2-site 3D CPMG model} -\label{sect: dispersion: NS 2-site 3D full model} -\index{relaxation dispersion!NS 2-site 3D full model|textbf} - -This is the numerical model for 2-site exchange using 3D magnetisation vectors. -Is it selected by setting the model to `NS 2-site 3D full'. -The simple constraint $\pA > \pB$ is used to halve the optimisation space, as both sides of the limit are mirror image spaces. - - -% Reduced NS 2-site 3D model. -%~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - -\subsection{The reduced NS 2-site 3D CPMG model} -\label{sect: dispersion: NS 2-site 3D model} -\index{relaxation dispersion!NS 2-site 3D model|textbf} - -This is the numerical model for 2-site exchange using 3D magnetisation vectors, whereby the simplification $\RtwozeroA = \RtwozeroB$ is assumed. -Is it selected by setting the model to `NS 2-site 3D'. -The simple constraint $\pA > \pB$ is used to halve the optimisation space, as both sides of the limit are mirror image spaces. - - -% Full NS 2-site star model. -%~~~~~~~~~~~~~~~~~~~~~~~~~~~ - -\subsection{The full NS 2-site star CPMG model} -\label{sect: dispersion: NS 2-site star full model} -\index{relaxation dispersion!NS 2-site star full model|textbf} - -This is the numerical model for 2-site exchange using complex conjugate matrices. -Is it selected by setting the model to `NS 2-site star full'. -The simple constraint $\pA > \pB$ is used to halve the optimisation space, as both sides of the limit are mirror image spaces. - - -% Reduced NS 2-site star model. -%~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - -\subsection{The reduced NS 2-site star CPMG model} -\label{sect: dispersion: NS 2-site star model} -\index{relaxation dispersion!NS 2-site star model|textbf} - -This is the numerical model for 2-site exchange using complex conjugate matrices, whereby the simplification $\RtwozeroA = \RtwozeroB$ is assumed. -Is it selected by setting the model to `NS 2-site star'. -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 expanded model. -%~~~~~~~~~~~~~~~~~~~~~~~~~~ - -\subsection{The NS 2-site expanded CPMG model} -\label{sect: dispersion: NS 2-site expanded model} -\index{relaxation dispersion!NS 2-site expanded model|textbf} - -This is the numerical model for 2-site exchange expanded using Maple by Nikolai Skrynnikov. -Is it selected by setting the model to `NS 2-site expanded'. -The simple constraint $\pA > \pB$ is used to halve the optimisation space, as both sides of the limit are mirror image spaces. - - % M61 model. %~~~~~~~~~~~ @@ -481,6 +429,76 @@ \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. + + + +% The numerical models. +%%%%%%%%%%%%%%%%%%%%%%% + +\section{The numerical dispersion models} +\label{sect: dispersion: numerical models} +\index{relaxation dispersion!Numerical model|textbf} + + +% Full NS 2-site 3D model. +%~~~~~~~~~~~~~~~~~~~~~~~~~ + +\subsection{The full NS 2-site 3D CPMG model} +\label{sect: dispersion: NS 2-site 3D full model} +\index{relaxation dispersion!NS 2-site 3D full model|textbf} + +This is the numerical model for 2-site exchange using 3D magnetisation vectors. +Is it selected by setting the model to `NS 2-site 3D full'. +The simple constraint $\pA > \pB$ is used to halve the optimisation space, as both sides of the limit are mirror image spaces. + + +% Reduced NS 2-site 3D model. +%~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + +\subsection{The reduced NS 2-site 3D CPMG model} +\label{sect: dispersion: NS 2-site 3D model} +\index{relaxation dispersion!NS 2-site 3D model|textbf} + +This is the numerical model for 2-site exchange using 3D magnetisation vectors, whereby the simplification $\RtwozeroA = \RtwozeroB$ is assumed. +Is it selected by setting the model to `NS 2-site 3D'. +The simple constraint $\pA > \pB$ is used to halve the optimisation space, as both sides of the limit are mirror image spaces. + + +% Full NS 2-site star model. +%~~~~~~~~~~~~~~~~~~~~~~~~~~~ + +\subsection{The full NS 2-site star CPMG model} +\label{sect: dispersion: NS 2-site star full model} +\index{relaxation dispersion!NS 2-site star full model|textbf} + +This is the numerical model for 2-site exchange using complex conjugate matrices. +Is it selected by setting the model to `NS 2-site star full'. +The simple constraint $\pA > \pB$ is used to halve the optimisation space, as both sides of the limit are mirror image spaces. + + +% Reduced NS 2-site star model. +%~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + +\subsection{The reduced NS 2-site star CPMG model} +\label{sect: dispersion: NS 2-site star model} +\index{relaxation dispersion!NS 2-site star model|textbf} + +This is the numerical model for 2-site exchange using complex conjugate matrices, whereby the simplification $\RtwozeroA = \RtwozeroB$ is assumed. +Is it selected by setting the model to `NS 2-site star'. +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 expanded model. +%~~~~~~~~~~~~~~~~~~~~~~~~~~ + +\subsection{The NS 2-site expanded CPMG model} +\label{sect: dispersion: NS 2-site expanded model} +\index{relaxation dispersion!NS 2-site expanded model|textbf} + +This is the numerical model for 2-site exchange expanded using Maple by Nikolai Skrynnikov. +Is it selected by setting the model to `NS 2-site expanded'. +The simple constraint $\pA > \pB$ is used to halve the optimisation space, as both sides of the limit are mirror image spaces. + % Script UI.