Author: tlinnet Date: Wed May 7 15:54:40 2014 New Revision: 23043 URL: http://svn.gna.org/viewcvs/relax?rev=23043&view=rev Log: Replaced "ex0b" with "v1c" to follow paper and manual. 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=23043&r1=23042&r2=23043&view=diff ============================================================================== --- trunk/lib/dispersion/b14.py (original) +++ trunk/lib/dispersion/b14.py Wed May 7 15:54:40 2014 @@ -208,7 +208,7 @@ E1 = (g3 - g4*1j) * tcp # Real. The v_1c in paper. - ex0b = F0 * cosh(E0) - f2 * cos(E2) + v1c = F0 * cosh(E0) - f2 * cos(E2) # Complex. ex0c = F0 * sinh(E0) - f2 * sin(E2)*1j @@ -217,9 +217,9 @@ ex1c = sinh(E1) # Exact result for v2v3. - v3 = sqrt(ex0b**2 - 1.) - - y = power( (ex0b - v3) / (ex0b + v3), ncyc) + v3 = sqrt(v1c**2 - 1.) + + y = power( (v1c - v3) / (v1c + v3), ncyc) # Off diagonal common factor. sinh fuctions. v2pPdN = (-deltaR2 + kex + dw*1j) * ex0c - 2. * (oGt2 + k_AB * t1pt2) * ex1c @@ -227,7 +227,7 @@ Tog = (1. + y) / 2. + (1. - y) / (2. * v3) * v2pPdN / N # Estimate R2eff. relax_time = Trel = 1/inv_tcpmg. - Minty = Rpre - ncyc * inv_tcpmg * arccosh(ex0b.real) - inv_tcpmg * log(Tog.real) + Minty = Rpre - ncyc * inv_tcpmg * arccosh(v1c.real) - inv_tcpmg * log(Tog.real) # Loop over the time points, back calculating the R2eff values. for i in range(num_points):