r20007 - /branches/relax_disp/user_functions/relax_disp.py -- June 10, 2013 - 15:21

Author: bugman
Date: Mon Jun 10 15:21:17 2013
New Revision: 20007

URL: http://svn.gna.org/viewcvs/relax?rev=20007&view=rev
Log:
Fixes for the IT99 model description in the relax_disp.select_model user 
function.

This is the Ishima and Torchia 1999 2-site model for all timescales with pA 
> > pB.

This commit follows step 2 of the relaxation dispersion model addition 
tutorial
(http://thread.gmane.org/gmane.science.nmr.relax.devel/3907).


Modified:
    branches/relax_disp/user_functions/relax_disp.py

Modified: branches/relax_disp/user_functions/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/user_functions/relax_disp.py?rev=20007&r1=20006&r2=20007&view=diff
==============================================================================
--- branches/relax_disp/user_functions/relax_disp.py (original)
+++ branches/relax_disp/user_functions/relax_disp.py Mon Jun 10 15:21:17 2013
@@ -561,8 +561,9 @@
 
     phi_ex = pA * pB * delta_omega^2 ,
     
-    omega_a^2 = sqrt(omega_1^4 + pB^2*delta_omega^2)\
-""")
+    omega_a^2 = sqrt(omega_1^4 + pA^2*delta_omega^4) ,\
+""")
+uf.desc[-1].add_paragraph("where tex = 1/(2kex), 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.")
 uf.desc[-1].add_paragraph("The reference for this equation is:")
 uf.desc[-1].add_list_element("Ishima R. and Torchia D.A. (1999).  Estimating 
the time scale of chemical exchange of proteins from measurements of 
transverse relaxation rates in solution.  J. Biomol. NMR, 14, 369-372.  (DOI: 
10.1023/A:1008324025406).")
 # M61 model.