mailRex in the BMRB


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Posted by Sébastien Morin on March 08, 2011 - 12:10:
Hi Eldon and Edward,

Currently, from what I understand from the BMRB storage format, Rex values derived from model-free analysis are stored in the "T2 relaxation" frame under "_Rex_value" and "_Rex_error" tags.

Generally, these values will be scaled and deposited for a single magnetic field. Hence, I wonder:

* If there should be some automatic scaling of the data so that Rex values scaled to other magnetic fields could be readily available in the BMRB file. This would, of course, need the user to confirm that values should be scaled, for example, assuming a fast exchange regime... Moreover, in the case where some R2 values are deposited but were not used in the model-free analysis (for example, in case of inconsistency as in Morin and Gagné, 2009, Biophys.J. 96: 4681–4691), no Rex should be associated with this particular magnetic field...

* If the magnetic field independent value should be stored somewhere else. I guess that Edward has already discussed this before in some post..?

Any idea / comment ?

Best regards,


Séb  :)

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




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