Hi,
>It would just be nice to
>have a fixed set of values for '.model_fit', which can be different
>for each spin, to allow this to be parsable for automatic reading into
>relax or other programs.
I agree completely. The '.Model_fit' tag will be enumerated with the
strings for the parameter list exactly as listed in your XML. Also
included, will be the strings for ModelFree. You will need to include a
software saveframe in your output that identifies RELAX as the software
used and the version number so software parsing the file can correctly
interpret the '.Model_fit' strings. It also may be useful to include a
'Method' saveframe where a text config file could be included or a list
of parameter names and their values could be provided that would define
how RELAX was actually run to produce the set of output data.
The '.Coherence_type' tag will also be enumerated with specific strings
like those that I suggested in an e-mail a few weeks ago.
The 'Order_param.CSA_val' tag should be deleted. I became carried away
with inserting tags and forgot that these data would be included in a
CSA saveframe.
Thank you very much for including my name on your poster. I mentioned
this effort in my abstract.
Cheers,
Eldon
Re: To all relax developers: presenting relax at the ENC conference and preliminary BMRB NMR-STAR file creation for model-free results.