Hi Troels, That's a good idea, feel free to implement it. I would suggest coming up with a different user function name though, as this is 100% independent of the relaxation dispersion analysis. It might fit better in the spectrum user function class (spectrum.deselect_sn_ratio). Or maybe even better, the select and deselect user function classes (select.sn_ratio, deselect.sn_ratio). For consistency, it would be better to use all lower case. I would also suggest creating the spectrum.sn_ratio user function to pre-calculate the S/N ratio, as this could have other uses. It could be stored in spin.sn_ratio as a dictionary with the same keys as spin.intensity and spin.intensity_err. How would this be implemented though? Would you look at all peak intensities for a spin divided by the intensity error and deselect if any is below? Or if all are below? Regards, Edward On 5 December 2014 at 16:25, Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx> wrote:
Hi Edward. Would it be useful to add additional features on top of the relax_disp.insignificant function? A possibility to only select spins, which have a S/N above 10 or more? This could be run before analysis, and only depends on spectrum.error_analysis(). The relax_disp.insignificant function is not enough. If a "weak" peak is loaded, with intensity near the noise, then calculation of R2eff can fluctuate quite a bit. This will not be observable with relax_disp.insignificant. The SN ratio could even be calculated and stored when doing the spectrum.error_analysis(). Best Troels _______________________________________________ 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