[bug #13162] Rex values in XML results file not in s-1 -- March 10, 2009 - 19:16

URL:
  <http://gna.org/bugs/?13162>

                 Summary: Rex values in XML results file not in s-1
                 Project: relax
            Submitted by: semor
            Submitted on: Tuesday 03/10/2009 at 14:16
                Category: relax's source code
                Severity: 3 - Normal
                Priority: 5 - Normal
                  Status: None
                 Privacy: Public
             Assigned to: None
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
         Discussion Lock: Any
                 Release: Repository: 1.3 line
        Operating System: All systems

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Details:

Hi,

The Rex value exported in the XML results file is directly dumped from the
spin container and, hence, is the field independent value obtained from
sigma_ex = Rex / omega**2.

There are two ways this could corrected.

1.
The comment in the XML results file ("rex desc="Chemical exchange relaxation
(800 MHz)") could be changed so it is clear that the value is sigma_ex and
not Rex in s-1.

2.
The results file could have the Rex value in s-1 associated to a specific
magnetic field so users can more easily think of the effect on the
experimental R2.

Both ways would be acceptable, either printing sigma_ex or Rex. If the user
knows which is printed, then he can use it easily.

There is a thread started by Pierre-Yves Savard at this address:
https://mail.gna.org/public/relax-users/2009-03/msg00000.html
(Message-id: <49B558D6.20909@xxxxxxxxxxxxx>).

Thank you.


Séb




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