mailr24622 - /branches/disp_spin_speed/lib/dispersion/lm63_3site.py


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Posted by tlinnet on July 22, 2014 - 16:51:
Author: tlinnet
Date: Tue Jul 22 16:51:32 2014
New Revision: 24622

URL: http://svn.gna.org/viewcvs/relax?rev=24622&view=rev
Log:
Code validation of lib/dispersion/lm63_3site.py.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion 
models for Clustered analysis.

Modified:
    branches/disp_spin_speed/lib/dispersion/lm63_3site.py

Modified: branches/disp_spin_speed/lib/dispersion/lm63_3site.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/lm63_3site.py?rev=24622&r1=24621&r2=24622&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/lm63_3site.py       (original)
+++ branches/disp_spin_speed/lib/dispersion/lm63_3site.py       Tue Jul 22 
16:51:32 2014
@@ -44,10 +44,10 @@
 The equation used is::
 
                    _3_
-                   \    phi_ex_i   /     4 * nu_cpmg         /     ki      \ 
\ 
+                   \    phi_ex_i   /     4 * nu_cpmg         /     ki      \ 
\
     R2eff = R20 +   >   -------- * | 1 - -----------  * tanh | ----------- | 
| .
                    /__     ki      \         ki              \ 4 * nu_cpmg / 
/
-                   i=2
+                   i = 2
 
 For deconvoluting the parameters, see the relax user manual or the reference:
 
@@ -94,10 +94,13 @@
     # Once off parameter conversions.
     # The phi_ex_B / kB parameter value.
     rex_B = phi_ex_B / kB
+
     # The phi_ex_C / kC parameter value.
     rex_C = phi_ex_C / kC
+
     # Approximate chemical exchange rate constant between sites A and B (the 
exchange rate in rad/s) divided by 4.
     quart_kB = kB / 4.0
+
     # Approximate chemical exchange rate constant between sites A and C (the 
exchange rate in rad/s) divided by 4.
     quart_kC = kC / 4.0
 




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