Re: [bug #20683] relaxerror in dauvergne_protocol.py - relaxation rates of infinity from the Bruker Dynamics Centre. -- April 02, 2013 - 12:42

Hi Mengjun,

This bug has now also been resolved.  See my instructions at
http://thread.gmane.org/gmane.science.nmr.relax.devel/3803/focus=3810
for obtaining the fixes.  The problem is that some of your Bruker DC
files have values of 'Infinity' and 'NaN' which was not handled by
relax.  You should carefully check what that data is as this seems to
indicate that there is some processing problem.  I have nevertheless
modified relax to check for these values and deselect any spins with
infinite relaxation rates.

Regards,

Edward



On 2 April 2013 12:10, Edward d  Auvergne
<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
> Update of bug #20683 (project relax):
>
>                 Category:    relax sample scripts => relax's source code
>                   Status:                    None => Confirmed
>         Operating System:       Microsoft Windows => All systems
>                  Summary: relaxerror in dauvergne_protocol.py => relaxerror 
> in
> dauvergne_protocol.py - relaxation rates of infinity from the Bruker 
> Dynamics
> Centre.
>
>     _______________________________________________________
>
> Follow-up Comment #1:
>
> The problem is that these Bruker Dynamics Centre files containing many 
> values
> of 'Infinity' and 'NaN'.  This is killing relax.
>
>     _______________________________________________________
>
> Reply to this item at:
>
>   <http://gna.org/bugs/?20683>
>
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