r23055 - /trunk/lib/dispersion/b14.py -- May 07, 2014 - 15:55

Author: tlinnet
Date: Wed May  7 15:55:02 2014
New Revision: 23055

URL: http://svn.gna.org/viewcvs/relax?rev=23055&view=rev
Log:
Re-wrote lines to follow appendix 1 in paper.

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=23055&r1=23054&r2=23055&view=diff
==============================================================================
--- trunk/lib/dispersion/b14.py (original)
+++ trunk/lib/dispersion/b14.py Wed May  7 15:55:02 2014
@@ -226,11 +226,14 @@
     # -1/Trel * log(LpreDyn).
     Rpre = (r20a + r20b + kex) / 2.0
 
+    # Carver and Richards (1972)
+    R2eff_CR72 = Rpre - inv_tcpmg * ncyc *  arccosh(v1c.real)
+
     # Estimate R2eff. relax_time = Trel = 1/inv_tcpmg.
-    Minty = Rpre - inv_tcpmg * ( ncyc *  arccosh(v1c.real) + log(Tog.real) )
+    R2eff = R2eff_CR72 - inv_tcpmg * log(Tog.real)
 
     # Loop over the time points, back calculating the R2eff values.
     for i in range(num_points):
 
         # The full formula.
-        back_calc[i] = Minty[i]
+        back_calc[i] = R2eff[i]