mailr21123 - /branches/relax_disp/specific_analyses/relax_disp/variables.py


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Posted by edward on October 15, 2013 - 18:39:
Author: bugman
Date: Tue Oct 15 18:39:06 2013
New Revision: 21123

URL: http://svn.gna.org/viewcvs/relax?rev=21123&view=rev
Log:
Added the 'MQ CR72' model to the dispersion variables.

This is the Carver and Richards (1972) 2-site model expanded for MQ CPMG data 
by Korzhnev et al.,
2004.

This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Adding_the_model_to_the_list


Modified:
    branches/relax_disp/specific_analyses/relax_disp/variables.py

Modified: branches/relax_disp/specific_analyses/relax_disp/variables.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/variables.py?rev=21123&r1=21122&r2=21123&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/variables.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/variables.py Tue Oct 15 
18:39:06 2013
@@ -101,15 +101,18 @@
 """The numerical solution for the 2-site Bloch-McConnell equations for R1rho 
data, whereby the simplification R20A = R20B is assumed."""
 
 # The multi-quantum data model names.
+MODEL_MQ_CR72 = 'MQ CR72'
+"""The Carver and Richards (1972) 2-site model for all time scales extended 
for MQ CPMG data."""
+
 MODEL_MQ_NS_CPMG_2SITE = 'MQ NS CPMG 2-site'
 """The numerical solution for the 2-site Bloch-McConnell equations for MQ 
CPMG data using 3D magnetisation vectors."""
 
 
 # The model lists.
-MODEL_LIST_DISP = [MODEL_NOREX, MODEL_LM63, MODEL_LM63_3SITE, MODEL_CR72, 
MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_M61, MODEL_M61B, 
MODEL_DPL94, MODEL_TP02, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, 
MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, 
MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_2SITE, MODEL_MQ_NS_CPMG_2SITE]
+MODEL_LIST_DISP = [MODEL_NOREX, MODEL_LM63, MODEL_LM63_3SITE, MODEL_CR72, 
MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_M61, MODEL_M61B, 
MODEL_DPL94, MODEL_TP02, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, 
MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, 
MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_2SITE, MODEL_MQ_CR72, 
MODEL_MQ_NS_CPMG_2SITE]
 """The list of all dispersion models (excluding the R2eff model)."""
 
-MODEL_LIST_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_LM63, MODEL_LM63_3SITE, 
MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_M61, 
MODEL_M61B, MODEL_DPL94, MODEL_TP02, MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, 
MODEL_NS_R1RHO_2SITE, MODEL_MQ_NS_CPMG_2SITE]
+MODEL_LIST_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_LM63, MODEL_LM63_3SITE, 
MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_M61, 
MODEL_M61B, MODEL_DPL94, MODEL_TP02, MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, 
MODEL_NS_R1RHO_2SITE, MODEL_MQ_CR72, MODEL_MQ_NS_CPMG_2SITE]
 """The list of the R2eff model together with all dispersion models."""
 
 MODEL_LIST_CPMG = [MODEL_NOREX, MODEL_LM63, MODEL_LM63_3SITE, MODEL_CR72, 
MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED]
@@ -124,10 +127,10 @@
 MODEL_LIST_R1RHO_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_M61, MODEL_M61B, 
MODEL_DPL94, MODEL_TP02, MODEL_NS_R1RHO_2SITE]
 """The list of the R2eff model together with all dispersion models 
specifically for R1rho-type experiments."""
 
-MODEL_LIST_MQ_CPMG = [MODEL_NOREX, MODEL_MQ_NS_CPMG_2SITE]
+MODEL_LIST_MQ_CPMG = [MODEL_NOREX, MODEL_MQ_CR72, MODEL_MQ_NS_CPMG_2SITE]
 """The list of all dispersion models specifically for MQ CPMG-type 
experiments (excluding the R2eff model)."""
 
-MODEL_LIST_MQ_CPMG_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_MQ_NS_CPMG_2SITE]
+MODEL_LIST_MQ_CPMG_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_MQ_CR72, 
MODEL_MQ_NS_CPMG_2SITE]
 """The list of the R2eff model together with all dispersion models 
specifically for MQ CPMG-type experiments."""
 
 MODEL_LIST_MQ_R1RHO = [MODEL_NOREX]




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