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
<edward@xxxxxxxxxxxxx>
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
Re: Tiny Rex values from the value.write user function.