Hi Andras, If you update your copy of the relax trunk, you should have some better looking normalised exponential curves. I have added the norm_type argument to the grace.write user function which can be set to 'first' or 'last' to select the point used for normalisation. The auto-analysis will automatically set this to 'last' if the model for all spins is set to 'sat' for the saturation recovery experiment. This was quite easy to add:
http://article.gmane.org/gmane.science.nmr.relax.scm/24786 http://article.gmane.org/gmane.science.nmr.relax.scm/24787 http://article.gmane.org/gmane.science.nmr.relax.scm/24788 http://article.gmane.org/gmane.science.nmr.relax.scm/24789 I might also set this to 'last' in the auto-analysis for the inversion recovery experiment. Done: http://article.gmane.org/gmane.science.nmr.relax.scm/24790 Regards, Edward On 9 December 2014 at 02:35, Boeszoermenyi, Andras <andras_boeszoerme...@hms.harvard.edu> wrote: > Hi Edward, > > this is great news. > > I've had the possibility to run new curve fitting scripts wit my data and > also double check with other software. The results are consistent. > > There is only one thing that I noticed and I even think you mentioned that > before. The normalization to the first plane is not really a good idea here, > because that is the plane with the least amount of signal. In one case that I > saw, the normalization constant became negative and hence the whole plot. > That didn't hurt the fitting, but still. > > Best regards, > Andras > ________________________________________ > From: relax-devel [relax-devel-boun...@gna.org] On Behalf Of Edward > d'Auvergne [edw...@nmr-relax.com] > Sent: Wednesday, December 03, 2014 10:52 AM > To: relax-devel@gna.org > Subject: A new relax release with the expanded R1 curve-fitting capabilities. > > Hi, > > Just so you know, I will very soon release relax 3.3.4 as a major > feature release with the saturation recovery and inversion recovery R1 > experiment support. It also includes the bug fix for the > multi-dimensional numpy IEEE 754 XML output support for the relax > state and results files, which will help with the nmrglue support > (http://nmrglue.com/) and saving this data in relax output files. > Since relax 3.3.3, these are really the only changes that have > occurred, so the release should be hassle free. > > Regards, > > Edward > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-devel mailing list > relax-devel@gna.org > > 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 relax-devel@gna.org 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
