r21911 - in /trunk: docs/latex/dispersion.tex docs/latex/relax.tex lib/dispersion/ns_r1rho_3site.py -- December 09, 2013 - 16:57

Author: bugman
Date: Mon Dec  9 16:57:34 2013
New Revision: 21911

URL: http://svn.gna.org/viewcvs/relax?rev=21911&view=rev
Log:
Last fixes for the 'NS R1rho 3-site' dispersion models.

These now behave identically to the cpmg_fit program with the PEAK_SHIFT flag 
disabled.  The tilt
angle for the initial magnetisation is no longer that for the average offset 
but that of state A.


Modified:
    trunk/docs/latex/dispersion.tex
    trunk/docs/latex/relax.tex
    trunk/lib/dispersion/ns_r1rho_3site.py

Modified: trunk/docs/latex/dispersion.tex
URL: 
http://svn.gna.org/viewcvs/relax/trunk/docs/latex/dispersion.tex?rev=21911&r1=21910&r2=21911&view=diff
==============================================================================
--- trunk/docs/latex/dispersion.tex (original)
+++ trunk/docs/latex/dispersion.tex Mon Dec  9 16:57:34 2013
@@ -1151,7 +1151,7 @@
 where
 \begin{align}
     M_0    &= \begin{pmatrix} \sin{\theta} \\ 0 \\ \cos{\theta} \\ 0 \\ 0 \\ 
0 \\ 0 \\ 0 \\ 0  \end{pmatrix}, \\
-    \theta &= \arctan \left( \frac{\omegaone}{\aveoffset} \right).
+    \theta &= \arctan \left( \frac{\omegaone}{\offsetA} \right).
 \end{align}
 
 This assumes that the starting magnetisation has an X and Z component only 
for the A state.

Modified: trunk/docs/latex/relax.tex
URL: 
http://svn.gna.org/viewcvs/relax/trunk/docs/latex/relax.tex?rev=21911&r1=21910&r2=21911&view=diff
==============================================================================
--- trunk/docs/latex/relax.tex (original)
+++ trunk/docs/latex/relax.tex Mon Dec  9 16:57:34 2013
@@ -135,6 +135,9 @@
 \newcommand{\KL}{\Delta_{\scriptscriptstyle \text{K-L}}}
 
 \newcommand{\aveoffset}{\bar\Omega}
+\newcommand{\offsetA}{\Omega_\textrm{A}}
+\newcommand{\offsetB}{\Omega_\textrm{B}}
+\newcommand{\offsetC}{\Omega_\textrm{C}}
 \newcommand{\aveomega}{\bar\omega}
 \newcommand{\dw}{\Delta\omega}
 \newcommand{\dwAB}{\Delta\omega_\textrm{AB}}

Modified: trunk/lib/dispersion/ns_r1rho_3site.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/ns_r1rho_3site.py?rev=21911&r1=21910&r2=21911&view=diff
==============================================================================
--- trunk/lib/dispersion/ns_r1rho_3site.py (original)
+++ trunk/lib/dispersion/ns_r1rho_3site.py Mon Dec  9 16:57:34 2013
@@ -112,7 +112,7 @@
         rr1rho_3d_3site(matrix=matrix, R1=r1, r1rho_prime=r1rho_prime, 
pA=pA, pB=pB, pC=pC, wA=dA, wB=dB, wC=dC, w1=spin_lock_fields[i], k_AB=k_AB, 
k_BA=k_BA, k_BC=k_BC, k_CB=k_CB, k_AC=k_AC, k_CA=k_CA)
 
         # The following lines rotate the magnetization previous to spin-lock 
into the weff frame.
-        theta = atan(spin_lock_fields[i]/d)
+        theta = atan(spin_lock_fields[i]/dA)
         M0[0] = sin(theta)    # The A state initial X magnetisation.
         M0[2] = cos(theta)    # The A state initial Z magnetisation.