mailRe: Problems identifying the frequency of Rex in the BMRB Order_parameter saveframe.


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Posted by Sébastien Morin on February 07, 2011 - 21:14:
Hi,

If this can be of any help, in entry 6838, the Rex (which are absent for an unknown reason, as discussed before last week) would have been associated to 600 MHz, as stated in a comment as follows:

=======
...
save_order_parameter_list_1
   _Saveframe_category          S2_parameters

   _Details
;
The Rex values and errors provided are scaled for a 600 MHz field.
That is, they originate from the model-free analysis of data from
all three fields (500, 600, 800), but are scaled for the 600 MHz field.
...
=======

Maybe others inserted a similar remark.

However, I agree that a tag would be MUCH better and reliable...

Cheers,


Séb  :)



On 11-02-07 8:23 PM, Eldon Ulrich wrote:
Hi,

Inserting the tag is, I think, the best way to go.

Eldon

On 2/7/11 11:41 AM, Edward d'Auvergne wrote:
Hi,

If we cannot find the needed information, I suggest we create a tag
such as _Order_parameter_list.Rex_field_strength.  Then the Rex values
from all data deposited in the future would be more useful.

Regards,

Edward


On 7 February 2011 18:07, Edward d'Auvergne<http://nmr-relax.com>   wrote:
Dear Eldon,

I'm now looking at chemical exchange relaxation values from the
model-free analysis.  There seems to be a major problem here - I
cannot work out how to identify which frequency the parameter
corresponds to.  In both relax and Modelfree4, it is the field
strength of the first loaded relaxation data set.  Fast exchange is
assumed, so that Rex is quadratic with field strength.  Is there a way
that we can identify this information from the BMRB files rather than
having to read all of the papers?

Cheers,

Edward

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--
Sébastien Morin, Ph.D.
Postdoctoral fellow
S. Grzesiek NMR Laboratory
Biozentrum, Universität Basel
Basel, Switzerland




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