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
