Oh, I would prefer None to 0 as a zero frequency would imply an infinitely long pulse train ;)
Regards, Edward On Thu, Jan 8, 2009 at 8:46 PM, Edward d'Auvergne <[email protected]> wrote: > Sounds like the perfect solution! > > > On Thu, Jan 8, 2009 at 8:42 PM, Sébastien Morin > <[email protected]> wrote: >> Hi Ed, >> >> You are right, and I am partially wrong... >> >> delayT is 0 for reference spectra (where the CPMG block is absent). >> However, it can be of different values for the CPMG spectra... >> >> What is best ? Define the reference spectra with cpmg_delayT() or with >> cpmg_frq() ? I would propose cpmg_frq() , with a value of 0, 'ref', or >> None, as this could allow us to give a single delayT value for a >> complete dataset and, then, a variable cpmg_frq value for the different >> spectra... >> >> What do you think ? >> >> >> Séb :) >> >> >> >> Edward d'Auvergne wrote: >>> 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
