Re: Errors of the 'final' Mode of Model Free AnalysisRe: Errors of the 'final' Mode of Model Free AnalysisHi Jing,
Welcome to the relax mailing lists! The error you see has been
reported before by Nicolas Doucet, see the email thread at:
http://thread.gmane.org/gmane.science.nmr.relax.user/1299
Unfortunately in that case the problem disappeared without the reason
being found. But I would recommend reading my message at the top of
that thread as I can only repeat what I said there - check the log
messages earlier up. Submitting a bug report would be very useful in
solving this problem, as log and other files can be attached there and
I can track and handle the issue
(https://gna.org/bugs/?func=additem&group=relax). You could also
upgrade to relax 3.0.0 as that fixes a number of bugs, though I don't
think that this issue has been resolved
(https://gna.org/forum/forum.php?forum_id=2407,
http://article.gmane.org/gmane.science.nmr.relax.announce/43).
Regards,
Edward
On 20 August 2013 07:42, Jing Zhao <jzhao16@xxxxxxxx> wrote:
> Hi,Edward:
> I have already used the program relax 2.2.5 to run through all diffusion
> model: Sphere, Prolate, Oblate and Ellipsoid in a uni-processor and obtained
> the converged fitting results that passed the convergence test. However, I
> stuck on the "final" mode because of some errors as shown below:
>
> relax> value.set(val=-0.00017199999999999998, param='csa', spin_id='@N')
>
> relax> pipe.create(pipe_name='local_tm - mf', pipe_type='mf', bundle='mf')
>
> relax> results.read(file='results', dir='C:\\relax\\
> Model Free Analysis\\local_tm\\aic')
>
> Opening the file 'C:\\relax\\Model Free Analysis
> \\local_tm\\aic\\results.bz2' for reading.
>
> relax> pipe.create(pipe_name='sphere - mf', pipe_type='mf', bundle='mf')
>
> relax> results.read(file='results', dir='C:\\relax\\Model Free Analysis
> \\sphere\\round_13\\opt')
>
> Opening the file 'C:\\relax\\Model Free Analysis
> \\sphere\\round_13\\opt\\results.bz2' for reading.
>
> relax> pipe.create(pipe_name='prolate – mf', pipe_type='mf', bundle='mf')
>
> relax> results.read(file='results', dir='C:\\relax\\Model Free Analysis
> \\prolate\\round_123\\opt')
>
> Opening the file 'C:\\relax\\Model FreeAnalysis
> \\prolate\\round_123\\opt\\results.bz2' for reading.
>
> relax> pipe.create(pipe_name='oblate - mf', pipe_type='mf', bundle='mf')
>
> relax> results.read(file='results', dir='C:\\relax\\
> Model Free Analysis\\oblate\\round_14\\opt')
>
> Opening the file 'C:\\relax\\Model Free Analysis
> \\oblate\\round_14\\opt\\results.bz2' for reading.
>
> relax> pipe.create(pipe_name='ellipsoid - mf', pipe_type='mf', bundle='mf')
>
> relax> results.read(file='results',
> dir='C:\\relax\\Model Free Analysis
> \\ellipsoid\\round_912\\opt')
>
> Opening the file 'C:\\relax\\Model Free Analysis
> \\ellipsoid\\round_912\\opt\\results.bz2' for reading.
>
> relax> model_selection(method='AIC', modsel_pipe='final - mf', bundle='mf',
>
> pipes=['local_tm - mf ', 'sphere - mf', 'prolate - mf',
> 'oblate - mf', 'ellipsoid - mf '])
> AIC model selection.
>
> Global model - all diffusion tensor parameters and spin specific
> model-free parameters.
> # Data pipe Num_params_(k)
> Num_data_sets_(n) Chi2 Criterion
> local_tm - mf (Mon Aug 19 22:40:08 2013) 323 696
>
> 5983.71348 6629.71348
> sphere - mf (Mon Aug 19 22:40:08 2013) 237 696
>
> 6374.27910 6848.27910
> prolate - mf (Mon Aug 19 22:40:08 2013) 232 696
>
> 6209.77670 6673.77670
> oblate - mf (Mon Aug 19 22:40:08 2013) 235 696
>
> 6274.97999 6744.97999
> ellipsoid - mf (Mon Aug 19 22:40:08 2013) 238 696
>
> 6184.98839 6660.98839
> The model from the data pipe 'local_tm - mf' has been selected.
>
> relax> monte_carlo.setup(number=500)
>
> relax> monte_carlo.create_data(method='back_calc')
>
> RelaxError: The specific model has not been selected or set up.
>
> Do you have any idea what is wrong in the here?
>
> Thanks
>
> Jing
>
>
>
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