Author: bugman
Date: Mon Nov 25 13:51:15 2013
New Revision: 21641
URL: http://svn.gna.org/viewcvs/relax?rev=21641&view=rev
Log:
Added text about the relax_disp.insignificance user function to the
dispersion chapter of the manual.
Modified:
branches/relax_disp/docs/latex/dispersion.tex
branches/relax_disp/docs/latex/dispersion_software.tex
Modified: branches/relax_disp/docs/latex/dispersion.tex
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/docs/latex/dispersion.tex?rev=21641&r1=21640&r2=21641&view=diff
==============================================================================
--- branches/relax_disp/docs/latex/dispersion.tex (original)
+++ branches/relax_disp/docs/latex/dispersion.tex Mon Nov 25 13:51:15 2013
@@ -936,6 +936,7 @@
\begin{description}
\item[Peak intensity error analysis:] An error analysis is performed to
determine the peak intensity errors, if not already calculated (see
Section~\ref{uf: spectrum.error_analysis} on page~\pageref{uf:
spectrum.error_analysis}).
\item[`R2eff' model optimisation:] Firstly the `R2eff' model is either
optimised (using the \uf{minimise} user function) or simply calculated (using
the \uf{calc} user function) to find the $\Rtwoeff$ or $\Ronerho$ values used
as the base data for all other dispersion models (see Section~\ref{sect:
dispersion: R2eff model} on page~\pageref{sect: dispersion: R2eff model}).
+\item[Dispersion curve insignificance:] Spins with insignificant dispersion
profiles will be deselected with the \uf{relax\_disp.insignificance} user
function, as described below, excluding the `No Rex' model.
\item[Model optimisation:] Sequential optimisation of each of the specified
dispersion models. This consists of a grid search followed by Nelder-Mead
simplex optimisation constrained using the log-barrier constraint algorithm.
Each model will be stored in a different data pipe. See Section~\ref{uf:
grid_search} on page~\pageref{uf: grid_search} for the grid search and
Section~\ref{uf: minimise} on page~\pageref{uf: minimise} for minimisation.
\item[Grid search avoidance:] A number of tricks are used to speed up
optimisation by skipping or decreasing the size of the initial grid search:
\begin{description}
@@ -957,6 +958,17 @@
If you are a power user, you are free to use all of the relax user
functions, the relax library, and the relax data store to implement your own
protocol.
If you wish, the protocol can be converted into a new auto-analysis and
distributed as part of relax.
The relax test suite will ensure the protocol remains functional for the
lifetime of relax.
+
+
+% Dispersion curve insignificance.
+%~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+\subsection{Dispersion curve insignificance}
+
+To avoid severe model failure due to the fitting of statistically
insignificant dispersion curves, the \uf{relax\_disp.insignificance} user
function can be used.
+This is activated by default in the auto-analysis.
+The user function takes a single insignificance value and if the difference
between the smallest and largest $\Rtwoeff$ or $\Ronerho$ value for an
individual spin for all dispersion curves is less than this, then that spin
will be deselected.
+See Section~\ref{uf: relax_disp.insignificance} on page~\pageref{uf:
relax_disp.insignificance} for more details.
% The relaxation dispersion space.
Modified: branches/relax_disp/docs/latex/dispersion_software.tex
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/docs/latex/dispersion_software.tex?rev=21641&r1=21640&r2=21641&view=diff
==============================================================================
--- branches/relax_disp/docs/latex/dispersion_software.tex (original)
+++ branches/relax_disp/docs/latex/dispersion_software.tex Mon Nov 25
13:51:15 2013
@@ -126,6 +126,12 @@
F-testing (ANOVA statistics) & \no & \no & \no & \yes
& \yes & \no & \no & \no & \no \\
\vspace{-5pt} \\
+\textbf{Data and model testing} \\
+\cmidrule(lr){1-1}
+Insignificant dispersion curve tests & \no & \no & \no & \yes
& \no & \no & \no & \no & \yes \\
+Model elimination tests & \no & \no & \no & \no
& \no & \no & \no & \no & \yes \\
+
+\vspace{-5pt} \\
\textbf{Programming languages} \\
\cmidrule(lr){1-1}
Python & \no & \no & \no & \yes & \no & \yes & \no
& \yes & \yes \\
r21641 - in /branches/relax_disp/docs/latex: dispersion.tex dispersion_software.tex