Author: tlinnet Date: Mon May 5 20:18:14 2014 New Revision: 22962 URL: http://svn.gna.org/viewcvs/relax?rev=22962&view=rev Log: Changed all instances of R2g with r20a. This is to be consistent with the relax nomenclature. sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales. This follows the tutorial for adding relaxation dispersion models at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Debugging Modified: trunk/lib/dispersion/b14.py Modified: trunk/lib/dispersion/b14.py URL: http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/b14.py?rev=22962&r1=22961&r2=22962&view=diff ============================================================================== --- trunk/lib/dispersion/b14.py (original) +++ trunk/lib/dispersion/b14.py Mon May 5 20:18:14 2014 @@ -132,8 +132,6 @@ # Conversion from relax parameters, to the exact code of Baldwin. pb = 1 - pA - R2e = r20b - R2g = r20a Trel = relax_time ncyc = power @@ -143,7 +141,7 @@ pa=(1-pb) keg=kex*(1-pb) kge=kex*pb - deltaR2=r20b-R2g + deltaR2=r20b-r20a # This is not used #nu_cpmg=ncyc/Trel #tcp=Trel/(4.0*ncyc) #time for one free precession element @@ -164,7 +162,7 @@ t2=(dw+g4)*(complex(dw,-g3))/(NNc) #t2 t1pt2=complex(2*dw**2,-g1)/(NNc) #t1+t2 oGt2=complex((deltaR2+keg-kge-g3),(dw-g4))*t2 #-2*oG*t2 - Rpre=(R2g+r20b+kex)/2.0 #-1/Trel*log(LpreDyn) + Rpre=(r20a+r20b+kex)/2.0 #-1/Trel*log(LpreDyn) E0= 2.0*tcp*g3 #derived from relaxation #E0=-2.0*tcp*(f00R-f11R) E2= 2.0*tcp*g4 #derived from chemical shifts #E2=complex(0,-2.0*tcp*(f00I-f11I)) E1=(complex(g3,-g4))*tcp #mixed term (complex) (E0-iE2)/2