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
