r8490 - /branches/relax_disp/specific_fns/relax_disp.py -- January 15, 2009 - 19:58

Author: semor
Date: Thu Jan 15 19:58:07 2009
New Revision: 8490

URL: http://svn.gna.org/viewcvs/relax?rev=8490&view=rev
Log:
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_fns/relax_disp.py

Modified: branches/relax_disp/specific_fns/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_fns/relax_disp.py?rev=8490&r1=8489&r2=8490&view=diff
==============================================================================
--- branches/relax_disp/specific_fns/relax_disp.py (original)
+++ branches/relax_disp/specific_fns/relax_disp.py Thu Jan 15 19:58:07 2009
@@ -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):