r21983 - /trunk/lib/dispersion/cr72.py -- January 15, 2014 - 15:55

Author: bugman
Date: Wed Jan 15 15:55:32 2014
New Revision: 21983

URL: http://svn.gna.org/viewcvs/relax?rev=21983&view=rev
Log:
Improvements and addition of many links to the lib.dispersion.cr72 API 
documentation.

This is for the API documentation at:
http://www.nmr-relax.com/api/3.1/lib.dispersion.cr72-module.html.


Modified:
    trunk/lib/dispersion/cr72.py

Modified: trunk/lib/dispersion/cr72.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/cr72.py?rev=21983&r1=21982&r2=21983&view=diff
==============================================================================
--- trunk/lib/dispersion/cr72.py (original)
+++ trunk/lib/dispersion/cr72.py Wed Jan 15 15:55:32 2014
@@ -21,11 +21,23 @@
 
###############################################################################
 
 # Module docstring.
-"""The Carver and Richards (1972) 2-site all time scale exchange model (pA > 
pB).
+"""The Carver and Richards (1972) 2-site all time scale exchange 
U{CR72<http://wiki.nmr-relax.com/CR72>} and U{CR72 
full<http://wiki.nmr-relax.com/CR72_full>} models.
 
-This module is for the function, gradient and Hessian of the CR72 model.  
The model is named after the reference:
+Description
+===========
 
-    - Carver, J. P. and Richards, R. E. (1972).  General 2-site solution for 
chemical exchange produced dependence of T2 upon Carr-Purcell pulse 
separation.  J. Magn. Reson., 6, 89-105.  (U{DOI: 
10.1016/0022-2364(72)90090-X<http://dx.doi.org/10.1016/0022-2364(72)90090-X>}).
+This module is for the function, gradient and Hessian of the 
U{CR72<http://wiki.nmr-relax.com/CR72>} and U{CR72 
full<http://wiki.nmr-relax.com/CR72_full>} models.
+
+
+References
+==========
+
+The model is named after the reference:
+
+    - Carver, J. P. and Richards, R. E. (1972).  General 2-site solution for 
chemical exchange produced dependence of T2 upon Carr-Purcell pulse 
separation.  I{J. Magn. Reson.}, B{6}, 89-105.  (U{DOI: 
10.1016/0022-2364(72)90090-X<http://dx.doi.org/10.1016/0022-2364(72)90090-X>}).
+
+Equations
+=========
 
 The equation used is::
 
@@ -45,7 +57,13 @@
 
     zeta = 2delta_omega (R2A0 - R2B0 - pA.kex + pB.kex).
 
-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 in ppm.  Importantly for the implementation of this model, it is 
assumed that R2A0 and R2B0 are identical.  This simplifies some of the 
equations to::
+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 in ppm.
+
+
+CR72 model
+----------
+
+Importantly for the implementation of this model, it is assumed that R2A0 
and R2B0 are identical.  This simplifies some of the equations to::
 
     R2eff = R20 + kex/2 - nu_cpmg.cosh^-1 (D+.cosh(eta+) - D-.cos(eta-) ,
 
@@ -54,6 +72,22 @@
     Psi = kex^2 - delta_omega^2 ,
 
     zeta = -2delta_omega (pA.kex - pB.kex).
+
+
+Links
+=====
+
+More information on the CR72 model can be found in the:
+
+    - U{relax wiki<http://wiki.nmr-relax.com/CR72>},
+    - U{relax 
manual<http://www.nmr-relax.com/manual/reduced_CR72_2_site_CPMG_model.html>},
+    - U{relaxation dispersion page of the relax 
website<http://www.nmr-relax.com/analyses/relaxation_dispersion.html#CR72>}.
+
+More information on the CR72 full model can be found in the:
+
+    - U{relax wiki<http://wiki.nmr-relax.com/CR72_full>},
+    - U{relax 
manual<http://www.nmr-relax.com/manual/full_CR72_2_site_CPMG_model.html>},
+    - U{relaxation dispersion page of the relax 
website<http://www.nmr-relax.com/analyses/relaxation_dispersion.html#CR72_full>}.
 """
 
 # Python module imports.