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, <[email protected]> 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 <[email protected]>: > >> 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 >> <[email protected]> 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> >>> >>> _______________________________________________ >>> Message sent via/by Gna! >>> http://gna.org/ >>> >>> >>> _______________________________________________ >>> relax (http://www.nmr-relax.com) >>> >>> This is the relax-devel mailing list >>> [email protected] >>> >>> To unsubscribe from this list, get a password >>> reminder, or change your subscription options, >>> visit the list information page at >>> https://mail.gna.org/listinfo/relax-devel >> >> >> > > _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
