On Wed, Apr 27, 2016 at 11:27:09AM +0200, Edward d'Auvergne wrote:
> On 22 April 2016 at 20:43, Petr Padrta <pad...@ncbr.muni.cz> wrote:
> > Hi Edward,
> >
> > OK,  I finally managed to create a bug report on gna with attached example.
> Hi Petr,
> Thank you for that.  For reference, the report is at
> https://gna.org/bugs/?24601 .  I have taken your data and script and
> created the following relax system test:
> $ relax -s Relax_disp.test_bug_24601_r2eff_missing_data
> I used this to catch the bug you saw and to fix all the issues.  Note
> that it took a bit longer than normal as the first error you saw was
> only one of 3.  I also had to update the Monte Carlo simulation error
> analysis code, and the Grace plotting code.  I have committed the
> changes:
>     http://article.gmane.org/gmane.science.nmr.relax.scm/25955
> When using this, please carefully check that all is working as
> expected.  The system test now passes, however there might be other
> strangeness (for example, check your Grace graphs for incorrect data
> labels).  For any other issues you see, if you could create a separate
> bug report for each, that would be appreciated.  As before, if you
> could include truncated data and a script to replicate the issue, that
> would be much appreciated as I could then create the system test to
> help fix the problem.  The more bugs reported - from critical to
> superficial - the smoother we can make the analysis process!  Even
> confusing text messages by relax deserve a report.
> For obtaining the code, if you need this soon, I would suggest
> directly obtaining it from the source code repository:
>     http://www.nmr-relax.com/download.html#Source_code_repository
> The reason is because there are a few newly introduced bugs that I
> would like solved before we release relax 4.0.2.  So it might take a
> few weeks before the new release is out.
> Regards,
> Edward

Hi Edward,

Thanks! I fetched last SVN version (r28204) and so far it seems that your new
dispersion code works as expected. The (rhetorical) question is what to do with
interpolated dispersion curves from missing B0 fields - they have the right
shape but are shifted along R2eff-axis as their r20 is unknown. Hmm, I can
always delete them from the grace plots. Or maybe I'll do another bug report
after some more testing.


                                                Petr Padrta

relax (http://www.nmr-relax.com)

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