Great, thanks! ________________________________________ From: edward.dauvergne@xxxxxxxxx [edward.dauvergne@xxxxxxxxx] On Behalf Of Edward d'Auvergne [edward@xxxxxxxxxxxxx] Sent: Tuesday, December 09, 2014 2:55 AM To: Boeszoermenyi, Andras Cc: relax-devel@xxxxxxx Subject: Re: A new relax release with the expanded R1 curve-fitting capabilities. 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_Boeszoermenyi@xxxxxxxxxxxxxxx> 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-bounces@xxxxxxx] On Behalf Of Edward d'Auvergne [edward@xxxxxxxxxxxxx] Sent: Wednesday, December 03, 2014 10:52 AM To: relax-devel@xxxxxxx 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@xxxxxxx 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