Hi, The comment at the top of the file is now implemented (http://article.gmane.org/gmane.science.nmr.relax.scm/16603). However this just missed out from being included into relax 2.2.4 by one day. It will be present in relax 2.2.5 whenever that version is released.
As for the idea of Rex files per field strength - that is a brilliant idea. I now have to work out how this could be implemented in relax. I'm currently thinking of adding the 'scale' argument to the value.write and value.display user functions. That way the value of omega**2 for the spectrometer can be used to scale the Rex values. Then I could use this in the model-free auto-analysis (which is essentially a large relax script, http://www.nmr-relax.com/api/auto_analyses.dauvergne_protocol-pysrc.html) to produce the files automatically at the end of the analysis. I will have to think about this for a while longer. Cheers, Edward On 19 March 2013 14:53, Angelo Figueiredo <[email protected]> wrote: > Dear Edward, > > Sorry my late reply. > Thanks for the advice. I got already the new relax 2.2.4 and it seems be > running smoothly well. > About the Rex term, I think is a splendid idea to add the small comment > explaining and then appear on the final file > > # Parameter description: Chemical exchange relaxation (sigma_ex = Rex / > omega**2). > > Many thanks, > Angelo > > p.s: maybe this is a naive idea but would be possible to get a final file(s) > with Rex according to the magnetic field used on the calculation. I think > that would be a neat way to get properly all information. > > > 2013/3/18 Edward d'Auvergne <[email protected]> >> >> Hi Martin and Angelo, >> >> You have probably now seen that I have just released relax 2.2.4 >> (http://article.gmane.org/gmane.science.nmr.relax.user/1413) - I would >> recommend you upgrade as this fixes the Rex values of zero from the >> value.write user function. You'll see that the documentation for the >> value.write user function now describes these small values >> (http://www.nmr-relax.com/manual/value_write.html). This will still >> be confusing for the user as you would still need to read the >> documentation, so I might look at adding a small comment to the top of >> each file describing the parameter. What do you think of the >> following idea? The parameter descriptions could be added to the top >> of the file as a comment, for example see the current model-free >> descriptions at: >> >> http://www.nmr-relax.com/api/specific_fns.model_free-pysrc.html >> >> Specifically the 'desc=' arguments to the self.PARAMS.add() calls >> which are normally only used in the XML relax state files. These >> descriptions could then be used to add the following text to the top >> of the file: >> >> # Parameter description: Chemical exchange relaxation (sigma_ex = Rex >> / omega**2). >> >> Do you think this would be sufficiently clear? If not, could you see >> how the description can be improved? Or would you have a better idea >> as to how to convey this information? >> >> Cheers, >> >> Edward > > _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-users mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users
