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
