Author: bugman
Date: Tue Oct 7 21:17:27 2008
New Revision: 7550
URL: http://svn.gna.org/viewcvs/relax?rev=7550&view=rev
Log:
Added example Sparky peak lists to the NOE and relaxation curve fitting
chapter.
This documentation improvement was suggested by Tyler Reddy at
https://mail.gna.org/public/relax-users/2008-10/msg00011.html (Message-id:
<20081007144810.ab985qup4408wokg@xxxxxxxxxx>).
Modified:
1.3/docs/latex/curvefit.tex
1.3/docs/latex/noe.tex
Modified: 1.3/docs/latex/curvefit.tex
URL:
http://svn.gna.org/viewcvs/relax/1.3/docs/latex/curvefit.tex?rev=7550&r1=7549&r2=7550&view=diff
==============================================================================
--- 1.3/docs/latex/curvefit.tex (original)
+++ 1.3/docs/latex/curvefit.tex Tue Oct 7 21:17:27 2008
@@ -110,6 +110,21 @@
relax\_fit.read(file=`T2\_ncyc11b.list', relax\_time=0.1936)
\end{exampleenv}
+The format for the Sparky peak list is assumed to have the intensity value
in the 4$^\textrm{th}$ column, e.g.:
+
+{\footnotesize \begin{verbatim}
+ Assignment w1 w2 Data Height
+
+ LEU3N-HN 122.454 8.397 129722
+ GLY4N-HN 111.999 8.719 422375
+ SER5N-HN 115.085 8.176 384180
+ MET6N-HN 120.934 8.812 272100
+ ASP7N-HN 122.394 8.750 174970
+ SER8N-HN 113.916 7.836 218762
+ GLU11N-HN 122.194 8.604 30412
+ GLY12N-HN 110.525 9.028 90144
+\end{verbatim}}
+
% The rest of the setup.
Modified: 1.3/docs/latex/noe.tex
URL:
http://svn.gna.org/viewcvs/relax/1.3/docs/latex/noe.tex?rev=7550&r1=7549&r2=7550&view=diff
==============================================================================
--- 1.3/docs/latex/noe.tex (original)
+++ 1.3/docs/latex/noe.tex Tue Oct 7 21:17:27 2008
@@ -106,7 +106,22 @@
noe.read(file=`sat.list', spectrum\_type=`sat')
\end{exampleenv}
-load the peak heights\index{peak!height} of the reference and saturated NOE
experiments (although the volume\index{peak!volume} could be used instead).
The keyword argument \texttt{format} has not been specified hence the default
format of a Sparky\index{software!Sparky} peak list (saved after typing
\texttt{`lt'}) is assumed. If the program XEasy\index{software!XEasy} was
used to analyse the spectra the argument \texttt{format=`xeasy'} is
necessary. The first column of the file should be the Sparky assignment
string and it is assumed that the 4$^\textrm{th}$ column contains either the
peak height or peak volume. If you have any other format you would like read
by relax please send an email to the relax development mailing
list\index{mailing list!relax-devel} detailing the software used, the format
of the file (specifically where the residue number and peak
intensity\index{peak!intensity} are located), and possibly attaching an
example of the file itself.
+load the peak heights\index{peak!height} of the reference and saturated NOE
experiments (although the volume\index{peak!volume} could be used instead).
The keyword argument \texttt{format} has not been specified hence the default
format of a Sparky\index{software!Sparky} peak list (saved after typing
\texttt{`lt'}) is assumed. If the program XEasy\index{software!XEasy} was
used to analyse the spectra the argument \texttt{format=`xeasy'} is
necessary. The first column of the file should be the Sparky assignment
string and it is assumed that the 4$^\textrm{th}$ column contains either the
peak height or peak volume. For example:
+
+{\footnotesize \begin{verbatim}
+ Assignment w1 w2 Data Height
+
+ LEU3N-HN 122.454 8.397 129722
+ GLY4N-HN 111.999 8.719 422375
+ SER5N-HN 115.085 8.176 384180
+ MET6N-HN 120.934 8.812 272100
+ ASP7N-HN 122.394 8.750 174970
+ SER8N-HN 113.916 7.836 218762
+ GLU11N-HN 122.194 8.604 30412
+ GLY12N-HN 110.525 9.028 90144
+\end{verbatim}}
+
+If you have any other format you would like read by relax please send an
email to the relax development mailing list\index{mailing list!relax-devel}
detailing the software used, the format of the file (specifically where the
residue number and peak intensity\index{peak!intensity} are located), and
possibly attaching an example of the file itself.
r7550 - in /1.3/docs/latex: curvefit.tex noe.tex