Re: Finished the reading of all the BMRB model-free data - necessary corrections to the database entries. -- March 06, 2011 - 19:52

Hi,

The suggestion on how to validate relaxation data is extremely helpful. 
We will look into this and try to implement it.

Adding tags to gather additional information about the experimental 
details, etc. is not difficult to do. What is difficult is getting 
people to provide the information. If it can be extracted by software 
with little difficulty for the depositor, this would be the best way to 
go. I will be updating the dictionary with the tags that were suggested 
earlier and will try to implement those mentioned here. Not being an 
expert in the intricacies of the relaxation data and experimental 
details, suggestions for specific tag names along with definitions for 
the tag values would be helpful.

Thank you very much for all the help and suggestions.
Eldon

On 3/5/11 2:02 AM, Sébastien Morin wrote:
> Hi,
>
> Including information on the recycle delay would be quite valuable indeed.
>
> Additionally, many other such tags might also be valuable such as for:
> * the use of heat compensation (or is this included in the temperature
> control tag ?)
> * the number of different relaxation delays (including some information
> on duplicates)
> * the order with which the different relaxation delays were recorded
> (and the use of interleaving)
> * the number of samples used (if not a single one)
>
> Maybe also there could be some automatic checkup by the BMRB upon data
> deposition on the consistency of the R2 data, as judged by the ratio of
> J(0) calculated for the different fields (Morin and Gagné, 2009, JBNMR,
> 45:361–372). Indeed,this can be used as a global consistency probe for
> the complete dataset, potentially reporting on sample and/or temperature
> issues between data from different magnetic fields. The mean value of
> the J(0) ratio (+- StdDev) for different pairs of R2 data (from
> different magnetic fields) could be included in a tag...
>
> Best regards,
>
>
> Séb :)
>
>
>
> On 11-03-04 3:58 PM, Edward d'Auvergne wrote:
> > Great! I would be perfect if we had all the entries updated by the
> > time the relax-BMRB integration paper is ready. One thing I've
> > recently thought about which is important for the relaxation data
> > (just like the temperature control and calibration tags which were
> > added) is the recycle delay. This is another experimental detail
> > which is very good to know, so that the quality of the data can be
> > judged. Is there a tag or place for this already? Or could a new tag
> > for the heteronucl_NOE or auto_relaxation saveframes be created?
> >
> > Cheers,
> >
> > Edward
> >
> >
> >
> > On 3 March 2011 19:30, Eldon Ulrich<elu@xxxxxxxxxxxxx> wrote:
> > > Hi,
> > >
> > > I have begun to edit the entries according to the changes in the
> > > diffs. This
> > > is a focus for this and next week. Hopefully the edited files will
> > > all be
> > > released by sometime next week. I will let you know.
> > >
> > > Thanks,
> > > Eldon
> > _______________________________________________
> > relax (http://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