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NOTE, to '''NOTES about speed up of model selection:'''To speed up the fittingmodel selection, see [[:Category:Time_of_running]], we .<br> '''Monte-Carlo simulations:'''<br>We will set the number of Monte-Carlo simulations to '''10''', for inspection.<br>
== Analyse ==
This will not affect model selection. <br>
If errors are not important for specific cases, set the number of MC sims to 3-10, and the analysis will perform much more rapidly. <br>
The result is that the error estimates of the parameters are horrible but, but in some cases, excluding publication, that is not such a problem.
'''Which models to chose for running:''' This text is based on [http://article.gmane.org/gmane.science.nmr.relax.devel/4426 this email thread discussion]: <br>
When you are analysing data, you would probably limit the number of models to 2-3. <br>
For example if you know that all residues are experiencing '''slow exchange''', the '''LM63''' '''fast exchange''' model does not need to be used. <br>
It is interesting to see that sometimes the analytic models are selected and sometimes the numeric models. <br>
But this is an academic curiosity, it is probably not a practical question anyone analysing real dispersion data is interested in. <br>
The way an analysis would normally be performed is to first decide if the analytic or numeric approach is to be used. <br>
For the '''analytic approach''' with slow exchange, you only need the '''No Rex''' and '''CR72''' models. <br>
You could add the '''IT99''' model if you can see that pA >> pB in the spectra, i.e. the pB peak is tiny.
If you take the '''numeric approach''', then the 'No Rex' and 'NS 2-site expanded' models can be used. <br>
Once you perform an initial analysis of all residues separately, you can then look at the dynamics parameter values and judge which spins to
cluster together to have the same model of dynamics, then re-perform the analysis.
=== Analyse in GUI ===
