Hi, I thought delayT was set to zero seconds in the reference spectrum? Anyway, your arguments are convincing. Maybe if the spectrum_id is set to None, then all spectrum can be set with that one value? What do you think?
Regards, Edward On Thu, Jan 8, 2009 at 6:05 PM, Sébastien Morin <[email protected]> wrote: > Hi, > > delayT could vary depending with the magnetic field. It could even vary > among one magnetic field... > > In fact, the same delayT must be used for at least a reference spectrum > and a spectrum with CPMG... From this, a R2eff is calculated. Normally, > users will use the same delayT for all the dispersion curve at one > field, since this will allow only one reference spectrum to be > recorded... The same delayT can be used at another field strength, > however a different one can be used also, for a better S/N or for > probing differently the dispersion profile... > > Hence, I would think that delayT should be associated with one dataset, > in the same way as the frequency, when set using frq.set... > > Does that sound logical ? > > Regards, > > > Séb :) > > > > > Edward d'Auvergne wrote: >> Seb, >> >> Do we need to associate delayT with different spectra? Is it not the >> same for all spectra from all field strengths? >> >> Regards, >> >> Edward >> >> >> On Thu, Jan 8, 2009 at 5:48 PM, <[email protected]> wrote: >> >>> Author: semor >>> Date: Thu Jan 8 17:48:13 2009 >>> New Revision: 8339 >>> >>> URL: http://svn.gna.org/viewcvs/relax?rev=8339&view=rev >>> Log: >>> Added the user function cpmg_delayT() which allows setting the CPMG >>> constant time delay T used for >>> the analysed dataset. >>> >>> This follows a post at: >>> https://mail.gna.org/public/relax-devel/2009-01/msg00027.html >>> (Message-id: <[email protected]>) >>> >>> >>> Modified: >>> branches/relax_disp/prompt/relax_disp.py >>> branches/relax_disp/specific_fns/relax_disp.py >>> >>> branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py >>> >>> Modified: branches/relax_disp/prompt/relax_disp.py >>> URL: >>> http://svn.gna.org/viewcvs/relax/branches/relax_disp/prompt/relax_disp.py?rev=8339&r1=8338&r2=8339&view=diff >>> ============================================================================== >>> --- branches/relax_disp/prompt/relax_disp.py (original) >>> +++ branches/relax_disp/prompt/relax_disp.py Thu Jan 8 17:48:13 2009 >>> @@ -45,6 +45,42 @@ >>> >>> # Place relax in the class namespace. >>> self.__relax__ = relax >>> + >>> + >>> + def cpmg_delayT(self, id=None, delayT=None): >>> + """Set the CPMG constant time delay (T) of the experiment. >>> + >>> + Keyword arguments >>> + ~~~~~~~~~~~~~~~~~ >>> + >>> + id: The experiment identification string. >>> + >>> + delayT: The CPMG constant time delay (T) in s. >>> + >>> + >>> + Description >>> + ~~~~~~~~~~~ >>> + >>> + This user function allows the CPMG constant time delay (T) of a >>> given experiment to be set. >>> + """ >>> + >>> + # Function intro text. >>> + if self.__relax__.interpreter.intro: >>> + text = sys.ps3 + "delayT(" >>> + text = text + "id=" + `id` >>> + text = text + ", delayT=" + `delayT` + ")" >>> + print text >>> + >>> + # Id string. >>> + if type(id) != str: >>> + raise RelaxStrError, ('experiment identification string', id) >>> + >>> + # The CPMG constant time delay (T). >>> + if type(delayT) != float and type(delayT) != int: >>> + raise RelaxNumError, ('CPMG constant time delay (T)', delayT) >>> + >>> + # Execute the functional code. >>> + specific_fns.relax_disp.cpmg_delayT(id=id, delayT=delayT) >>> >>> >>> def exp_type(self, exp='cpmg'): >>> >>> Modified: branches/relax_disp/specific_fns/relax_disp.py >>> URL: >>> http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_fns/relax_disp.py?rev=8339&r1=8338&r2=8339&view=diff >>> ============================================================================== >>> --- branches/relax_disp/specific_fns/relax_disp.py (original) >>> +++ branches/relax_disp/specific_fns/relax_disp.py Thu Jan 8 17:48:13 2009 >>> @@ -205,6 +205,41 @@ >>> >>> # Add the frequency at the correct position. >>> cdp.cpmg_frqs[index] = frq >>> + >>> + >>> + def cpmg_delayT(id=None, delayT=None): >>> + """Set the CPMG constant time delay (T) of the experiment. >>> + >>> + @keyword id: The experimental identification string >>> (allowing for multiple experiments >>> + per data pipe). >>> + @type id: str >>> + @keyword delayT: The CPMG constant time delay (T) in s. >>> + @type delayT: float >>> + """ >>> + >>> + # Function intro text. >>> + if self.__relax__.interpreter.intro: >>> + text = sys.ps3 + "delayT(" >>> + text = text + "id=" + `id` >>> + text = text + ", delayT=" + `delayT` + ")" >>> + print text >>> + >>> + # Test if the current data pipe exists. >>> + pipes.test() >>> + >>> + # Alias the current data pipe. >>> + cdp = pipes.get_pipe() >>> + >>> + # Set up the dictionnary data structure if it doesn't exist yet. >>> + if not hasattr(cdp, 'delayT'): >>> + cdp.delayT = {} >>> + >>> + # Test the CPMG constant time delay (T) has not already been set. >>> + if cdp.delayT.has_key(id): >>> + raise RelaxError, "The CPMG constant time delay (T) for the >>> experiment " + `id` + " has already been set." >>> + >>> + # Set the CPMG constant time delay (T). >>> + cdp.delayT[id] = delayT >>> >>> >>> def create_mc_data(self, spin_id): >>> >>> Modified: >>> branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py >>> URL: >>> http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py?rev=8339&r1=8338&r2=8339&view=diff >>> ============================================================================== >>> --- >>> branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py >>> (original) >>> +++ >>> branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py >>> Thu Jan 8 17:48:13 2009 >>> @@ -22,6 +22,9 @@ >>> >>> # Relaxation dispersion magnetic field (in Hz). >>> frq.set(id='600', frq=600.0 * 1e6) >>> + >>> +# Relaxation dispersion CPMG constant time delay T (in s). >>> +cpmg_delayT(id='600', delayT=0.020) >>> >>> # Relaxation dispersion CPMG frequencies (in Hz). >>> cpmg_frq = [ >>> >>> >>> _______________________________________________ >>> relax (http://nmr-relax.com) >>> >>> This is the relax-commits 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-commits >>> >>> >> >> _______________________________________________ >> relax (http://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 >> >> > > > _______________________________________________ > relax (http://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 > _______________________________________________ relax (http://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
