r17342 - /trunk/docs/latex/curvefit.tex -- August 27, 2012 - 11:58

Author: bugman
Date: Mon Aug 27 11:58:38 2012
New Revision: 17342

URL: http://svn.gna.org/viewcvs/relax?rev=17342&view=rev
Log:
Improvements to the final section of the relaxation curve-fitting chapter.

The Xmgrace screenshot and page references for the user functions have been 
added.


Modified:
    trunk/docs/latex/curvefit.tex

Modified: trunk/docs/latex/curvefit.tex
URL: 
http://svn.gna.org/viewcvs/relax/trunk/docs/latex/curvefit.tex?rev=17342&r1=17341&r2=17342&view=diff
==============================================================================
--- trunk/docs/latex/curvefit.tex (original)
+++ trunk/docs/latex/curvefit.tex Mon Aug 27 11:58:38 2012
@@ -335,6 +335,12 @@
 
 \section{Final checks}
 
-To be sure that the data has been properly collected and that no 
instrumentation or pulse sequence timing errors have occurred, it is 
essential to carefully check the \texttt{intensities.agr} and 
\texttt{intensities\_norm.agr} 2D Grace files.  These are plots of the decay 
curves for each spin system analysed, and any non-exponential behaviour 
should be clearly visible.
-
-Note that errors resulting in systematic bias in the data -- for example if 
temperature control (single-scan interleaving or temperature compensation 
blocks) or per-experiment/per-spectrometer temperature calibration on MeOH or 
ethylene glycol have not been performed -- will not be detected by looking at 
the decay curves.  See the \texttt{relax\_data.temp\_calibration} and 
\texttt{relax\_data.temp\_control} user function documentation for more 
details.
+To be sure that the data has been properly collected and that no 
instrumentation or pulse sequence timing errors have occurred, it is 
essential to carefully check the \texttt{intensities.agr} and 
\texttt{intensities\_norm.agr} 2D Grace\index{software!Grace|textbf} files.  
These are plots of the decay curves for each spin system analysed, and any 
non-exponential behaviour should be clearly visible (see figure~\ref{fig: 
screenshot: xmgrace peak intensities}).  If Xmgrace or a compatible program 
is not available for your operating system, the Grace files contain a text 
representation of the curves at the end which can be edited and opened in 
another 2D graph visualisation program.
+ 
+% Xmgrace screenshot
+\begin{figure}
+\centerline{\includegraphics[width=\textwidth, bb=14 14 923 
724]{graphics/screenshots/xmgrace_peak_intensities.eps.gz}}
+\caption[Peak intensity 2D plot xmgrace screenshot]{Screenshot of the 2D 
peak intensity plots for the exponential relaxation curves in 
Xmgrace.}\label{fig: screenshot: xmgrace peak intensities}
+\end{figure}
+
+Note that errors resulting in systematic bias in the data -- for example if 
temperature control (single-scan interleaving or temperature compensation 
blocks) or per-experiment/per-spectrometer temperature calibration on MeOH or 
ethylene glycol have not been performed -- will not be detected by looking at 
the decay curves.  See the \texttt{relax\_data.temp\_calibration} user 
function documentation on page~\pageref{uf: relax_data.temp_calibration} and 
the \texttt{relax\_data.temp\_control} user function documentation on 
page~\pageref{uf: relax_data.temp_control} for more details.