Hi, Is the frequency for the reference spectrum necessary? Isn't cmpg_delayT set to zero in this case, i.e. the CPMG block is missing? If it is necessary though, a value of None is probably a better choice to identify it rather than the frequency of zero Hz.
Another question I have is should the nu_cmpg value be given (with Hz units), or would it be better if the omega_cmpg value was given (with rad/s units)? If nu_cmpg is given, this will have to be converted later to omega. I think we should have an explanation of both, after the relevant model equations. Also the 'frq' arg of relax_disp.cpmg_frq() might be better named as nu_cmpg or omega_cmpg for clarity if this is frequency or angular frequency. Also note that we have to convert the cmpg_delayT value too. Unit analysis of the equation R2eff = ( 1 / T ) * Ln( Icpmg / Iref ) shows this. R2 is in units of rad/s. T is input in seconds. 1/T is frequency in nu units of Hz. Therefore we need to convert to the radian units of angular frequency by multiplying by 2pi as 2pi/T is in rad/s units. The natural logarithm of peak intensities is unitless and dimensionless. Regards, Edward On Thu, Jan 8, 2009 at 8:13 PM, <[email protected]> wrote: > Author: semor > Date: Thu Jan 8 20:13:00 2009 > New Revision: 8343 > > URL: http://svn.gna.org/viewcvs/relax?rev=8343&view=rev > Log: > Added the user function cpmg_frq() and added examples to the user function > cpmg_delayT(). > > > Modified: > branches/relax_disp/prompt/relax_disp.py > branches/relax_disp/specific_fns/relax_disp.py > > Modified: branches/relax_disp/prompt/relax_disp.py > URL: > http://svn.gna.org/viewcvs/relax/branches/relax_disp/prompt/relax_disp.py?rev=8343&r1=8342&r2=8343&view=diff > ============================================================================== > --- branches/relax_disp/prompt/relax_disp.py (original) > +++ branches/relax_disp/prompt/relax_disp.py Thu Jan 8 20:13:00 2009 > @@ -62,6 +62,15 @@ > ~~~~~~~~~~~ > > This user function allows the CPMG constant time delay (T) of a given > experiment to be set. > + > + > + Examples > + ~~~~~~~~ > + > + To set a CPMG constant time delay T of 20 ms (0.020 s) for > experiments '600', type: > + > + relax> relax_disp.cpmg_delayT('600', 0.020) > + relax> relax_disp.cpmg_delayT(id='600', delayT=0.020) > """ > > # Function intro text. > @@ -83,6 +92,39 @@ > relax_disp_obj.cpmg_delayT(id=id, delayT=delayT) > > > + def cpmg_frq(self, frq=0, spectrum_id=None): > + """Set the CPMG frequency associated with a given spectrum. > + > + Keyword arguments. > + ~~~~~~~~~~~~~~~~~~ > + > + frq: The frequency, in Hz, of the CPMG pulse train. > + > + spectrum_id: The spectrum identification string. > + > + > + Description > + ~~~~~~~~~~~ > + > + This user function allows the CPMG pulse train frequency of a given > spectrum to be set. > + If a value of 0 is set for frequency, then the spectrum will be > treated as a reference > + spectrum. > + > + > + Examples > + ~~~~~~~~ > + > + To identify the reference spectrum called 'reference_spectrum', type: > + > + relax> relax_disp.cpmg_frq(0, 'reference_spectrum') > + relax> relax_disp.cpmg_frq(frq=0, spectrum_id='reference_spectrum') > + > + To set a frequency of 200 Hz for the spectrum '200_Hz_spectrum', > type: > + > + relax> relax_disp.cpmg_frq(200, '200_Hz_spectrum') > + relax> relax_disp.cpmg_frq(frq=200, spectrum_id='200_Hz_spectrum') > + > + > def exp_type(self, exp='cpmg'): > """Function for the selection of the relaxation dispersion > experiments to analyse. > > > 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=8343&r1=8342&r2=8343&view=diff > ============================================================================== > --- branches/relax_disp/specific_fns/relax_disp.py (original) > +++ branches/relax_disp/specific_fns/relax_disp.py Thu Jan 8 20:13:00 2009 > @@ -173,7 +173,7 @@ > def cpmg_frq(self, frq=0, spectrum_id=None): > """Set the CPMG frequency associated with a given spectrum. > > - @keyword frq: The frequency, in Hz, of the CPMG train. > + @keyword frq: The frequency, in Hz, of the CPMG pulse > train. > @type frq: int > @keyword spectrum_id: The spectrum identification string. > @type spectrum_id: str > > > _______________________________________________ > 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
