r21551 - in /branches/relax_disp: docs/latex/dispersion.tex lib/dispersion/it99.py -- November 20, 2013 - 18:17

Author: bugman
Date: Wed Nov 20 18:17:55 2013
New Revision: 21551

URL: http://svn.gna.org/viewcvs/relax?rev=21551&view=rev
Log:
Another bug fix for the IT99 model.

This was pointed out by Nikolai Skrynnikov that the omega_1eff definition is 
incorrect and instead
it should be:

    omega_1eff = 4 * sqrt(3) * nu_CPMG.


Modified:
    branches/relax_disp/docs/latex/dispersion.tex
    branches/relax_disp/lib/dispersion/it99.py

Modified: branches/relax_disp/docs/latex/dispersion.tex
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/docs/latex/dispersion.tex?rev=21551&r1=21550&r2=21551&view=diff
==============================================================================
--- branches/relax_disp/docs/latex/dispersion.tex (original)
+++ branches/relax_disp/docs/latex/dispersion.tex Wed Nov 20 18:17:55 2013
@@ -386,12 +386,12 @@
 
 The effective rotating frame field for a CPMG-type experiment is given by
 \begin{equation}
-    \omega_\textrm{1eff} = 2\sqrt{3}\nucpmg ,
+    \omega_\textrm{1eff} = 4\sqrt{3}\nucpmg ,
 \end{equation}
 
 and hence
 \begin{equation}
-    \omega_\textrm{1eff}^4 = 144\nucpmg^4 .
+    \omega_\textrm{1eff}^4 = 2304\nucpmg^4 .
 \end{equation}
 
 The reference for this equation is:

Modified: branches/relax_disp/lib/dispersion/it99.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/dispersion/it99.py?rev=21551&r1=21550&r2=21551&view=diff
==============================================================================
--- branches/relax_disp/lib/dispersion/it99.py (original)
+++ branches/relax_disp/lib/dispersion/it99.py Wed Nov 20 18:17:55 2013
@@ -41,11 +41,11 @@
 
 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.  The effective rotating frame field for a 
CPMG-type experiment is given by::
 
-    omega_1eff = 2*sqrt(3) * nu_cpmg
+    omega_1eff = 4*sqrt(3) * nu_cpmg
 
 and therefore::
 
-    omega_1eff^4 = 144 * nu_cpmg^4
+    omega_1eff^4 = 2304 * nu_cpmg^4
 """
 
 # Python module imports.
@@ -93,7 +93,7 @@
             continue
 
         # The effective rotating frame field.
-        omega_1eff4 = 144 * cpmg_frqs[i]**4
+        omega_1eff4 = 2304.0 * cpmg_frqs[i]**4
 
         # Denominator.
         omega_a2 = sqrt(omega_1eff4 + pa2dw4)