r19227 - /branches/relax_disp/specific_analyses/relax_disp.py -- March 27, 2013 - 15:04

Author: bugman
Date: Wed Mar 27 15:04:02 2013
New Revision: 19227

URL: http://svn.gna.org/viewcvs/relax?rev=19227&view=rev
Log:
Ported r8490 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8489:8490 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/relax_disp/specific_fns/@r18123
 specific_analyses

.....
  r8490 | semor | 2009-01-15 19:58:07 +0100 (Thu, 15 Jan 2009) | 13 lines
  Changed paths:
     M /branches/relax_disp/specific_fns/relax_disp.py
  
  Corrected the way the scaling matrix is assembled.
  
  This is as proposed by Ed in a post at:
  https://mail.gna.org/public/relax-devel/2009-01/msg00079.html
  (Message-id: <7f080ed10901130637k34ce0fc1l57091178e09940a8@xxxxxxxxxxxxxx>)
  
  The scaling values are now based on the default values for the different 
parameters which were
  slightly modified.
  
  The only parameter for which the average is still used (as for intensities 
in the 'relax_fit.py'
  code) is 'R2eff'.
.....


Modified:
    branches/relax_disp/specific_analyses/relax_disp.py

Modified: branches/relax_disp/specific_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp.py?rev=19227&r1=19226&r2=19227&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp.py Wed Mar 27 15:04:02 
2013
@@ -157,7 +157,7 @@
                 pos = cdp.cpmg_frqs.index(min(cdp.cpmg_frqs))
 
                 # Scaling.
-                scaling_matrix[i, i] = 1.0 / average(spin.r2[pos])
+                scaling_matrix[i, i] = 1e-1
 
             # Chemical exchange contribution to 'R2' scaling.
             elif spin.params[i] == 'Rex':
@@ -165,7 +165,7 @@
                 pos = cdp.cpmg_frqs.index(min(cdp.cpmg_frqs))
 
                 # Scaling.
-                scaling_matrix[i, i] = 1.0 / average(spin.rex[pos])
+                scaling_matrix[i, i] = 1e-1
 
             # Exchange rate scaling.
             elif spin.params[i] == 'kex':
@@ -173,7 +173,7 @@
                 pos = cdp.cpmg_frqs.index(min(cdp.cpmg_frqs))
 
                 # Scaling.
-                scaling_matrix[i, i] = 1.0 / average(spin.kex[pos])
+                scaling_matrix[i, i] = 1e-4
 
             # Transversal relaxation rate for state A scaling
             elif spin.params[i] == 'R2A':
@@ -181,7 +181,7 @@
                 pos = cdp.cpmg_frqs.index(min(cdp.cpmg_frqs))
 
                 # Scaling.
-                scaling_matrix[i, i] = 1.0 / average(spin.r2a[pos])
+                scaling_matrix[i, i] = 1e-1
 
             # Exchange rate from state A to state B scaling.
             elif spin.params[i] == 'kA':
@@ -189,7 +189,7 @@
                 pos = cdp.cpmg_frqs.index(min(cdp.cpmg_frqs))
 
                 # Scaling.
-                scaling_matrix[i, i] = 1.0 / average(spin.ka[pos])
+                scaling_matrix[i, i] = 1e-4
 
             # Chemical shift difference between states A and B scaling.
             elif spin.params[i] == 'dw':
@@ -197,7 +197,7 @@
                 pos = cdp.cpmg_frqs.index(min(cdp.cpmg_frqs))
 
                 # Scaling.
-                scaling_matrix[i, i] = 1.0 / average(spin.dw[pos])
+                scaling_matrix[i, i] = 1e-3
 
             # Increment i.
             i = i + 1
@@ -497,17 +497,17 @@
         | Data type                                         | Object name   
| Value    |
         
|___________________________________________________|_______________|__________|
         |                                                   |               
|          |
-        | Transversal relaxation rate                       | 'R2'          
| 8.0      |
+        | Transversal relaxation rate                       | 'R2'          
| 15.0     |
         |                                                   |               
|          |
-        | Chemical exchange contribution to 'R2'            | 'Rex'         
| 2.0      |
+        | Chemical exchange contribution to 'R2'            | 'Rex'         
| 5.0      |
         |                                                   |               
|          |
         | Exchange rate                                     | 'kex'         
| 10000.0  |
         |                                                   |               
|          |
-        | Transversal relaxation rate for state A           | 'R2A'         
| 8.0      |
+        | Transversal relaxation rate for state A           | 'R2A'         
| 15.0     |
         |                                                   |               
|          |
         | Exchange rate from state A to state B             | 'kA'          
| 10000.0  |
         |                                                   |               
|          |
-        | Chemical shift difference between states A and B  | 'dw'          
| 100      |
+        | Chemical shift difference between states A and B  | 'dw'          
| 1000.0   |
         |                                                   |               
|          |
         
|___________________________________________________|_______________|__________|
 
@@ -515,11 +515,11 @@
 
         # Transversal relaxation rate.
         if param == 'R2':
-            return 8.0
+            return 15.0
 
         # Chemical exchange contribution to 'R2'.
         if param == 'Rex':
-            return 2.0
+            return 5.0
 
         # Exchange rate.
         if param == 'kex':
@@ -527,7 +527,7 @@
 
         # Transversal relaxation rate for state A.
         if param == 'R2A' :
-            return 8.0
+            return 15.0
 
         # Exchange rate from state A to state B.
         if param == 'kA' :
@@ -535,7 +535,7 @@
 
         # Chemical shift difference between states A and B.
         if param == 'dw' :
-            return 100
+            return 1000.0
 
 
     def disassemble_param_vector(self, param_vector=None, spin=None, 
sim_index=None):