Author: bugman Date: Fri May 3 21:47:26 2013 New Revision: 19657 URL: http://svn.gna.org/viewcvs/relax?rev=19657&view=rev Log: Renamed the lib.dispersion.equations.fast_2site() function to r2eff_LM63(). The number of relaxation times has also been replaced by the number of dispersion points. Modified: branches/relax_disp/lib/dispersion/equations.py Modified: branches/relax_disp/lib/dispersion/equations.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/dispersion/equations.py?rev=19657&r1=19656&r2=19657&view=diff ============================================================================== --- branches/relax_disp/lib/dispersion/equations.py (original) +++ branches/relax_disp/lib/dispersion/equations.py Fri May 3 21:47:26 2013 @@ -51,8 +51,8 @@ return -1.0 / relax_time * log(float(I) / I_ref) -def fast_2site(params=None, cpmg_frqs=None, back_calc=None, num_times=None): - """Back calculate the effective transversal relaxation rate (R2eff). +def r2eff_LM63(params=None, cpmg_frqs=None, back_calc=None, num_disp_points=None): + """Back calculate R2eff. The currently supported equation is that for CPMG relaxation dispersion in the fast exchange limit: @@ -63,7 +63,6 @@ - Tollinger et al., JACS, 2001, 123, 11341-11352 (equation 2) """ - # Loop over the time points. - for i in range(num_times): - # Back calculate. + # Loop over the time points, back calculating the R2eff value. + for i in range(num_disp_points): back_calc[i] = params[0] + params[1] * (1 - 2 * tanh(params[2] / (2 * 4 * cpmg_frqs[i])) * ((4 * cpmg_frqs[i] ) / params[2]))