Hm. Now I cant reproduce the bug?
An odd number of NCYC, gives fine interpolated graphs. Hm... 2014-05-04 12:24 GMT+02:00 Troels Emtekær Linnet <[email protected]>: > Sound good with a flag, default to True. > > That means less code interruption. :-) > > > Best > Troels > > 2014-05-04 12:12 GMT+02:00 Edward d'Auvergne <[email protected]>: >> I might try implementing this user function change, and store the >> cdp.ncyc_even flag. Then you could use it for the interpolation. >> >> Regards, >> >> Edward >> >> >> On 4 May 2014 11:59, Edward d'Auvergne <[email protected]> wrote: >>> The defaults for a relax_disp.cpmg_setup could be: >>> >>> relax_disp.cpmg_setup(spectrum_id=None, cpmg_frq=None, ncyc_even=True) >>> >>> This can then be expanded in the future for special CPMG dispersion >>> experiment types (CW decoupling vs. pi pulses, etc.) where the numeric >>> model would require changes. >>> >>> Regards, >>> >>> Edward >>> >>> >>> >>> On 4 May 2014 11:53, Edward d'Auvergne <[email protected]> wrote: >>>> Sorry, that was a bad typo, it should be Flemming Hansen's dispersion >>>> pulse sequence! >>>> >>>> On 4 May 2014 11:52, Edward d'Auvergne <[email protected]> wrote: >>>>> Hi, >>>>> >>>>> It depends on the pulse sequence. Here is one I found written by >>>>> Flemming Hanser where you can use odd numbers: >>>>> >>>>> http://nmrwiki.org/psdb/kaylab/vnmrsys/psglib/CaHD_cpmg_GLY_dfh_600_v1.c >>>>> >>>>> Look for the comment: >>>>> >>>>> "ncyc can be either even or odd :)" >>>>> >>>>> Such sequences are probably in the minority though. Anyway, maybe we >>>>> need a new user function. It would be good to have a series of user >>>>> functions for specifying the experimental information. We already >>>>> have that with: >>>>> >>>>> spectrometer.frequency >>>>> relax_disp.exp_type >>>>> relax_disp.relax_time >>>>> relax_disp.cpmg_frq >>>>> >>>>> So keeping along these lines, maybe we need to have a >>>>> relax_disp.cpmg_even_ncyc user function? Or we rename >>>>> relax_disp.cpmg_frq to relax_disp.cpmg_setup and have that user >>>>> function reserved for all CPMG pulse sequence info? What do you >>>>> think? Renaming user functions does require a relax minor version >>>>> number change though, so introducing it before relax 3.2.0 is a good >>>>> idea. >>>>> >>>>> Regards, >>>>> >>>>> Edward >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> On 4 May 2014 11:24, Troels Emtekær Linnet <[email protected]> wrote: >>>>>> Hi Edward. >>>>>> >>>>>> The number of CPMG blocks has to be an even number. >>>>>> >>>>>> I remember this clearly, since I once did an CPMG experiment, with >>>>>> some ncycs equal 4, 10, 15, 20, 25, ... >>>>>> >>>>>> And the intensities for all eksperiments with odd NCYC number was >>>>>> horrible. >>>>>> >>>>>> Kaare told me, that ncycs always has to be even. >>>>>> That was something that Mikael Akke also have insisted on. >>>>>> >>>>>> But that day, I could not easily find it in the literature, so I left >>>>>> it and accepted just another fact of NMR. >>>>>> >>>>>> And when I did the interpolated graphs with an odd-number of NCYC, >>>>>> that looked weirdo. >>>>>> Sig-saw all over the place. >>>>>> >>>>>> I actually think it could be a input check in relax, warning the user >>>>>> if the number of CPMG blocks are not equal? >>>>>> >>>>>> And, I would be very happy to find it in the literature. :-) >>>>>> Have you ever come around this? >>>>>> >>>>>> Best >>>>>> Troels >>>>>> >>>>>> >>>>>> >>>>>> >>>>>> >>>>>> >>>>>> >>>>>> >>>>>> >>>>>> 2014-05-04 11:06 GMT+02:00 Edward d Auvergne >>>>>> <[email protected]>: >>>>>>> Follow-up Comment #2, bug #22008 (project relax): >>>>>>> >>>>>>> If this is a restriction of only the B14 analytic CPMG model >>>>>>> (http://wiki.nmr-relax.com/B14), it would be best if only the B14 is >>>>>>> affected. >>>>>>> There is no need to restrict the numeric models based on the artificial >>>>>>> limitation of an unrelated model. Maybe the best solution would be to >>>>>>> check >>>>>>> if the model is B14, and if so skip odd interpolation points? >>>>>>> >>>>>>> _______________________________________________________ >>>>>>> >>>>>>> Reply to this item at: >>>>>>> >>>>>>> <http://gna.org/bugs/?22008> >>>>>>> >>>>>>> _______________________________________________ >>>>>>> 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
