r21274 - /branches/relax_disp/test_suite/shared_data/dispersion/Hansen/cpmgfit_results/README -- October 28, 2013 - 08:57

Author: bugman
Date: Mon Oct 28 08:57:57 2013
New Revision: 21274

URL: http://svn.gna.org/viewcvs/relax?rev=21274&view=rev
Log:
Updated the README file explaining how to convert the CPMGFit parameters to 
those of other software.


Modified:
    
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/cpmgfit_results/README

Modified: 
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/cpmgfit_results/README
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/Hansen/cpmgfit_results/README?rev=21274&r1=21273&r2=21274&view=diff
==============================================================================
--- 
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/cpmgfit_results/README
 (original)
+++ 
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/cpmgfit_results/README
 Mon Oct 28 08:57:57 2013
@@ -1,5 +1,55 @@
+'CPMG' or 'LM63' model parameter conversions.
+=============================================
+
 To convert the 'CPMG' model parameter Rex to phi_ex, use:
 
-phi_ex = (Rex / tau) / (2.0 * pi * frq / g1H * g15N * 1e-6)**2
+    phi_ex = (Rex / Tau) / (2.0 * pi * frq / g1H * g15N * 1e-6)**2 * (2*1000)
 
-where frq is the magnetic field strength in Hz (for the proton Larmor 
frequency).  There nevertheless seems to be a factor of 2 * 1000 difference.
+where frq is the magnetic field strength in Hz (for the proton Larmor 
frequency).  The factor of 2*1000 is probably from the CPMGFit definition of 
Tau=2/kex and the 1000 is because of the ms units.
+
+The kex parameter is given by:
+
+    kex = 2.0/Tau * 1000
+
+And tex as:
+
+    tex = "%.3e" % (Tau / (2.0 * 1000))
+
+
+
+'Full_CPMG' or 'CR72' model parameter conversions.
+==================================================
+
+To convert from the papb parameter:
+
+    pA = 1.0 - papb
+
+To obtain dw:
+
+    dw = 2.0 * pi * dw
+
+And kex:
+
+    kex = kex * 1000
+
+
+
+'Ishima' or 'IT99' model parameter conversions.
+===============================================
+
+To convert to the pA parameter:
+
+    phi_ex = (Rex / Tau) / (2.0 * pi * frq / g1H * g15N * 1e-6)**2 * (2*1000)
+    pA = 1.0 - phi_ex / PaDw
+
+To obtain dw:
+
+    dw = sqrt(PaDw / pA)
+
+The kex parameter is given by:
+
+    kex = 2.0/Tau * 1000
+
+And tex as:
+
+    tex = "%.3e" % (Tau / (2.0 * 1000))