mailRe: [bug #23244] Missing one fitting parameter in relaxation curve fitting report.


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Posted by Xiangyan Shi on February 04, 2015 - 18:11:
Hi Edward,

I saw you posted the revised relax_fit.py.
However, after replacing the anto_analysis/relax_fit.py with this revised 
one, I still get same output files, which miss the reports (txt file or 
graph) on I(inf). I’m using relax-GUI. Is it just a problem with relax-GUI?
Thank you.

Xiangyan


On Feb 4, 2015, at 9:36 AM, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:

Hi Xiangyan,

I'll look at creating a system test with your data now, and seeing how
this can be fixed.  For your suggestion of another graph, could you
create a different report for this?  That would rather be a support
request (https://gna.org/support/?group=relax).  It might be useful if
you created a graph with a minimal data set and attach a PNG image of
the graph to the report as well.  That way it will be very clear what
you would like to do.

Cheers,

Edward


On 4 February 2015 at 16:30, xiangyan shi
<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
Follow-up Comment #2, bug #23244 (project relax):

I have a test file attached including the peak list, all the output results
from relax, and a copy-paste message of the log from the controller window.

In addition of this missing report on I(inf) and associate error, another
improvement can be made is providing a xmgrace plot of experimental data 
point
versus final fitting curve. This kind of plots is common for publication.
Right now, without this feature, I have to use other program (matlab) to do
this plot, which takes quite amount of time if one have hundreds of peaks 
to
fit.

Thank you!

(file #23716)
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