r19346 - /branches/relax_disp/user_functions/relax_disp.py -- April 04, 2013 - 10:45

Author: bugman
Date: Thu Apr  4 10:45:07 2013
New Revision: 19346

URL: http://svn.gna.org/viewcvs/relax?rev=19346&view=rev
Log:
Expanded the relax_disp.select_model user function documentation to cover 
R2eff and I0.

These parameters and how they are optimised are now better described.


Modified:
    branches/relax_disp/user_functions/relax_disp.py

Modified: branches/relax_disp/user_functions/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/user_functions/relax_disp.py?rev=19346&r1=19345&r2=19346&view=diff
==============================================================================
--- branches/relax_disp/user_functions/relax_disp.py (original)
+++ branches/relax_disp/user_functions/relax_disp.py Thu Apr  4 10:45:07 2013
@@ -264,9 +264,10 @@
 # Description.
 uf.desc.append(Desc_container())
 uf.desc[-1].add_paragraph("A number of different dispersion models will be 
supported, from the numerical integration of the Bloch-McConnell equations, 
the 2-site fast, intermediate and slow exchange, 3-site exchange, to the most 
basic model of simply fitting the exponential curves.  The currently 
supported models include:")
-uf.desc[-1].add_item_list_element("'%s'" % EXP_FIT, "The simple exponential 
curve-fitting with parameters {R2},")
-uf.desc[-1].add_item_list_element("'%s'" % FAST_2SITE, "The 2-site fast 
exchange equation with parameters {R2, Rex, kex},")
-uf.desc[-1].add_item_list_element("'%s'" % SLOW_2SITE, "The 2-site slow 
exchange equation with parameters {R2A, kA, dw}.")
+uf.desc[-1].add_item_list_element("'%s'" % EXP_FIT, "The simple exponential 
curve-fitting with parameters {R2eff, I0},")
+uf.desc[-1].add_item_list_element("'%s'" % FAST_2SITE, "The 2-site fast 
exchange equation with parameters {R2eff, I0, R2, Rex, kex},")
+uf.desc[-1].add_item_list_element("'%s'" % SLOW_2SITE, "The 2-site slow 
exchange equation with parameters {R2eff, I0, R2A, kA, dw}.")
+uf.desc[-1].add_paragraph("These models are fit to clusterings of spins, or 
spin blocks.  For each spin, the parameters R2eff and I0 have multiple values 
as each of the multiple exponential curves has a different R2eff and I0 
value.  If the number of exponential curves is N and the number of spins in a 
clustering is M, the total number of R2eff or I0 values fit is N*M.")
 uf.desc.append(Desc_container("Simple exponential curve-fitting"))
 uf.desc[-1].add_paragraph("This is the simplest of all models in that the 
dispersion part is not modelled.  It can be selected by setting the model to 
'%s'.  Each relaxation curve will be fit to the simple two parameter 
exponential as in a R1 or R2 analysis, and the R2eff rates will be 
calculated.  Monte Carlo simulations can be used to obtain the R2eff errors 
independent from the dispersion model." % EXP_FIT)
 uf.desc.append(Desc_container("2-site fast exchange equation"))