Just for reference, the correct link here is http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#The_relax_library.
Regards, Edward On 2 May 2014 11:57, <[email protected]> wrote: > Author: tlinnet > Date: Fri May 2 11:57:07 2014 > New Revision: 22918 > > URL: http://svn.gna.org/viewcvs/relax?rev=22918&view=rev > Log: > Python API documentation corrections for the model B14. > > 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#Adding_the_model_to_the_list"; > > The B14 model is explained in: http://wiki.nmr-relax.com/B14. > > 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=22918&r1=22917&r2=22918&view=diff > ============================================================================== > --- trunk/lib/dispersion/b14.py (original) > +++ trunk/lib/dispersion/b14.py Fri May 2 11:57:07 2014 > @@ -41,6 +41,7 @@ > ========= > > The equation used is:: > + > R2A0 + R2B0 + kex Ncyc 1 ( 1+y > 1-y ) > R2eff = ------------------ - ------ * cosh^-1 * v1c - ------ ln( --- + > ------------------ * (v2 + 2*kAB*pD ) ) > 2 Trel Trel ( 2 > 2*sqrt(v1c^2 -1 ) ) > @@ -50,6 +51,7 @@ > Trel ( 2 2*sqrt(v1c^2 -1 ) > ) > > Which have these following definitions:: > + > v1c = F0 * cosh(tauCP * E0)- F2 * cosh(tauCP * E2) > v1s = F0 * sinh(tauCP * E0)- F2 * sinh(tauCP * E2) > v2*N = v1s * (OB-OA) + 4OB * F1^a * sinh(tauCP * E1) > @@ -57,23 +59,20 @@ > v3 = ( v2^2 + 4 * kBA * kAB * pD^2 )^1/2 > y = ( (v1c-v3)/(v1c+v3) )^NCYC > > -Note, E2 is complex. If |x| denotes the complex modulus:<br> > +Note, E2 is complex. If |x| denotes the complex modulus:: > + > cosh(tauCP * E2) = cos(tauCP * |E2|) > sinh(tauCP * E2) = i sin(tauCP * |E2|) > > The term pD is based on product of the off diagonal elements in the CPMG > propagator (Supplementary Section 3). > > -It is interesting to consider the region of validity of the Carver Richards > result. > -The two results are equal when the correction is zero, which is true when > +It is interesting to consider the region of validity of the Carver Richards > result. The two results are equal when the correction is zero, which is true > when:: > > sqrt(v1c^2-1) ~ v2 + 2*kAB * pD > > -This occurs when 2*kAB * pD tends to zero, and so v2=v3. > -Setting "kAB * pD" to zero, amounts to neglecting magnetisation that starts > on the ground state ensemble and end on the excited state ensemble and vice > versa. > -This will be a good approximation when pA >> p_B. > +This occurs when 2*kAB * pD tends to zero, and so v2=v3. Setting "kAB * pD" > to zero, amounts to neglecting magnetisation that starts on the ground state > ensemble and end on the excited state ensemble and vice versa. This will be > a good approximation when pA >> p_B. > > -In practise, significant deviations from the Carver Richards equation can be > incurred if pB > 1 %. > -Incorporation of the correction term into equation (50), results in an > improved description of the CPMG experiment over the Carver Richards equation. > +In practise, significant deviations from the Carver Richards equation can be > incurred if pB > 1 %. Incorporation of the correction term into equation > (50), results in an improved description of the CPMG experiment over the > Carver Richards equation. > > kex is the chemical exchange rate constant, pA and pB are the populations of > states A and B, and delta_omega is the chemical shift difference between the > two states in ppm. > > > > _______________________________________________ > relax (http://www.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://www.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
