Hi Troels,
This looks like a problem with the current data checks prior to
executing the auto-analysis. To fix this, I would recommend the
following steps:
1) First, I would recommend creating a bug report. It would be good
to attach a relax save state for this problem with data from a single
spin system, saved just before clicking on 'Execute'. If you have
such a state file already for the entire system, the spin editor
window can be used to delete all but one spin (which may itself reveal
more bugs, but this is a good thing :).
2) Once the bug report is created with the save state attached, a
system test can be created which loads the state file, saved in the
test_suite/shared_data directories, and executes the auto-analysis,
triggering the bug.
3) Fix the bug and close the report.
4) Optimisation of the system test - by making sure it doesn't take
more than 1-2 seconds. Hidden optimisation settings in the
auto-analysis can be used for this.
Would you like to give this a go?
Cheers,
Edward
On 17 February 2014 17:24, Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx>
wrote:
Hi Edward.
I have setup a CPMG analysis for a dataset obtained at two fields.
The data is also recorded at two delay times.
The setup looks like this in the GUI.
http://cdn.imghack.se/images/4dc2eadbea2862889374daa148177347.png
Last lines of output from relax
-------------------------------------
relax> state.save(state='compare_setup', dir=None, compress_type=1,
force=True)
Opening the file 'compare_setup.bz2' for writing.
- The 'R2eff' model -
relax> pipe.copy(pipe_from='compare_128_FT', pipe_to='compare_128_FT_R2eff',
bundle_to='cpmg_disp_sod1d90a')
relax> pipe.switch(pipe_name='compare_128_FT_R2eff')
relax> relax_disp.select_model(model='R2eff')
R2eff/R1rho value and error determination.
relax> calc(verbosity=1)
RelaxError: The experiment 'SQ CPMG' is not of the fixed relaxation time
period data type.
-----------------------------------------
Would it be possible to modify relax to allow this?
Best
Troels
_______________________________________________
relax (http://www.nmr-relax.com)
This is the relax-devel mailing list
relax-devel@xxxxxxx
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-devel
Re: Running a CPMG analysis with two fields at two delay times.