mailr19370 - /branches/relax_disp/specific_analyses/relax_disp.py


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Posted by edward on April 04, 2013 - 17:26:
Author: bugman
Date: Thu Apr  4 17:26:32 2013
New Revision: 19370

URL: http://svn.gna.org/viewcvs/relax?rev=19370&view=rev
Log:
Fix for the relaxation dispersion specific _assemble_scaling_matrix() method.

The values were all inverted - the matrix should hold values on the same 
order as the parameter
values.


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=19370&r1=19369&r2=19370&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp.py Thu Apr  4 17:26:32 
2013
@@ -213,11 +213,11 @@
             # Loop over each exponential curve.
             for exp_i, key in self._exp_curve_loop():
                 # Effective transversal relaxation rate scaling.
-                scaling_matrix[param_index, param_index] = 1e-1
+                scaling_matrix[param_index, param_index] = 10
                 param_index += 1
 
                 # Initial intensity scaling.
-                scaling_matrix[param_index, param_index] = 1.0 / 
max(spin.intensities.values())
+                scaling_matrix[param_index, param_index] = 
max(spin.intensities.values())
                 param_index += 1
 
         # Then the spin block specific parameters.
@@ -225,27 +225,27 @@
         for i in range(len(spin.params)):
             # Transversal relaxation rate scaling.
             if spin.params[i] == 'R2':
-                scaling_matrix[param_index, param_index] = 1e-1
+                scaling_matrix[param_index, param_index] = 10
 
             # Chemical exchange contribution to 'R2' scaling.
             elif spin.params[i] == 'Rex':
-                scaling_matrix[param_index, param_index] = 1e-1
+                scaling_matrix[param_index, param_index] = 10
 
             # Exchange rate scaling.
             elif spin.params[i] == 'kex':
-                scaling_matrix[param_index, param_index] = 1e-4
+                scaling_matrix[param_index, param_index] = 10000
 
             # Transversal relaxation rate for state A scaling
             elif spin.params[i] == 'R2A':
-                scaling_matrix[param_index, param_index] = 1e-1
+                scaling_matrix[param_index, param_index] = 10
 
             # Exchange rate from state A to state B scaling.
             elif spin.params[i] == 'kA':
-                scaling_matrix[param_index, param_index] = 1e-4
+                scaling_matrix[param_index, param_index] = 10000
 
             # Chemical shift difference between states A and B scaling.
             elif spin.params[i] == 'dw':
-                scaling_matrix[param_index, param_index] = 1e-3
+                scaling_matrix[param_index, param_index] = 1000
 
             # Increment the parameter index.
             param_index += 1




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