mailRe: Rex in the BMRB


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Posted by Sébastien Morin on March 08, 2011 - 14:01:

* 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 ?

I have only recently noticed this problem with the scanning of the
entire BMRB.  But I think we need a tag identifying the frequency of
the Rex data in the Order_parameter saveframe.  For example:

_Order_parameter_list.Rex_frequency_1H

This is modelled on the
_Auto_relaxation_list.Spectrometer_frequency_1H tag.  Alternatively
the Rex values could be the sigma_Rex field strength independent
value, though none of the current data is in this notation.

I would suggest that the values are stored as both field dependent Rex and
field independent sigma_Rex. The former would be useful for human perception
and comparison with the amplitude of the R2 data, and should definitely be
associated to a magnetic field (!). The latter would be better for direct
comparison between different systems / proteins...
Then we could have the new tags:

_Order_parameter_list.Rex_frequency_1H
_Order_param.Sigma_rex_val
_Order_param.Sigma_rex_val_fit_err

And keep the old tags:

_Order_param.Rex_val
_Order_param.Rex_val_fit_err

These 5 should cover everything.

Regards,

Edward

That sounds very good.


Séb  :)



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