Author: tlinnet Date: Tue Jul 22 16:51:32 2014 New Revision: 24622 URL: http://svn.gna.org/viewcvs/relax?rev=24622&view=rev Log: Code validation of lib/dispersion/lm63_3site.py. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. Modified: branches/disp_spin_speed/lib/dispersion/lm63_3site.py Modified: branches/disp_spin_speed/lib/dispersion/lm63_3site.py URL: http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/lm63_3site.py?rev=24622&r1=24621&r2=24622&view=diff ============================================================================== --- branches/disp_spin_speed/lib/dispersion/lm63_3site.py (original) +++ branches/disp_spin_speed/lib/dispersion/lm63_3site.py Tue Jul 22 16:51:32 2014 @@ -44,10 +44,10 @@ The equation used is:: _3_ - \ phi_ex_i / 4 * nu_cpmg / ki \ \ + \ phi_ex_i / 4 * nu_cpmg / ki \ \ R2eff = R20 + > -------- * | 1 - ----------- * tanh | ----------- | | . /__ ki \ ki \ 4 * nu_cpmg / / - i=2 + i = 2 For deconvoluting the parameters, see the relax user manual or the reference: @@ -94,10 +94,13 @@ # Once off parameter conversions. # The phi_ex_B / kB parameter value. rex_B = phi_ex_B / kB + # The phi_ex_C / kC parameter value. rex_C = phi_ex_C / kC + # Approximate chemical exchange rate constant between sites A and B (the exchange rate in rad/s) divided by 4. quart_kB = kB / 4.0 + # Approximate chemical exchange rate constant between sites A and C (the exchange rate in rad/s) divided by 4. quart_kC = kC / 4.0