mailRe: missing data in relaxation dispersion


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Posted by Petr Padrta on April 22, 2016 - 20:43:
Hi Edward,

OK,  I finally managed to create a bug report on gna with attached example.

On 04/22/2016 02:59 PM, Edward d'Auvergne wrote:
Hi Petr,

Welcome to the relax mailing lists!  For your problem, what does relax
say if you run the analysis with missing residues?  Could you copy and
paste the full output?  Cheers.  We have written the software to
specifically handle this situation, and this should be automatic.  For
the relax developers reading this, for reference you can see this as
the "missing" argument for the target function __init__() setup method
at:

    
http://www.nmr-relax.com/api/4.0/target_functions.relax_disp-pysrc.html#Dispersion.__init__

If you see an error message, then this is a bug.  relax is designed to
handle every situation automatically - you should never, ever have to
revert to such tricks to get relax to work.  If you do see an error,
it would be appreciated if you could create a bug report about the
problem at:

    https://gna.org/bugs/?func=additem&group=relax

Ideally, if you could attach a script and truncated data files (with
maximally 2-3 residues, slightly randomised, if you wish), that would
be appreciated.  If the problem can be quickly reproduced with the
attached files, then I can convert that in to a relax system test.  I
normally then only need 5-10 minutes to eliminate such a bug.

Cheers,

Edward






On 22 April 2016 at 14:18, Petr Padrta <padrta@xxxxxxxxxxxx> wrote:
Hello everybody,

I'm analysing some CPMG data with the auto-analysis script
(sample_scripts/relax_disp/cpmg_analysis.py). Problem is that I don't have 
the
same set of spectra for all my residues, i.e. there are missing residues in
some of the peak lists and relax doesn't like that. So far I bypass the 
problem
by generating residue-specific peak lists and running the analyses 
separately
for individual residues but that's 1) tedious and 2) I'm unable to run
clustered analysis unless I shave the spectra list to "common 
denominator". I
also tried setting the missing intensities to "None" or to "NA" but that's 
not
working. Any ideas?

----------------------------------------------------------------------

                                                 Petr Padrta

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