Hi,
If you use the newest version of relax (downloaded with the subversion
program), you do not need to 'fix' your DC files - just check each
peak to see what is happening.
Also if you read the documentation, you will see that for some systems
it can take between 1-2 weeks to complete the full model-free analysis
protocol
(http://www.nmr-relax.com/manual/d_Auvergne_protocol_script_mode_execution.html).
Sometimes it only takes a day. It really depends on the dynamics of
the system as well as the speed of the computer. This is perfectly
normal considering how complicated the model-free problem really is.
Regards,
Edward
On 2 April 2013 16:30, <mengjun.xue@xxxxxxxxxxxxxxxxxxxx> wrote:
Hi Edward,
Thank you very much for your suggestions. I will check all the values of
'Infinity' and 'NaN' in the DC file, and try to run Relax again. It seems
that it will take a long time, even if the first step, Model I 'local_tm' is
optimised under dauvergne_protocol.py. Thank you.
Regards,
Mengjun
Quoting Edward d'Auvergne <edward@xxxxxxxxxxxxx>:
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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Re: [bug #20683] relaxerror in dauvergne_protocol.py - relaxation rates of infinity from the Bruker Dynamics Centre.