mailr12290 - /1.3/test_suite/shared_data/model_free/back_calc.py


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Posted by edward on January 13, 2011 - 11:34:
Author: bugman
Date: Thu Jan 13 11:34:47 2011
New Revision: 12290

URL: http://svn.gna.org/viewcvs/relax?rev=12290&view=rev
Log:
The Rex scaling was (2pi)^2 too much - the frequency was already in rad/s!


Modified:
    1.3/test_suite/shared_data/model_free/back_calc.py

Modified: 1.3/test_suite/shared_data/model_free/back_calc.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/model_free/back_calc.py?rev=12290&r1=12289&r2=12290&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/model_free/back_calc.py (original)
+++ 1.3/test_suite/shared_data/model_free/back_calc.py Thu Jan 13 11:34:47 
2011
@@ -112,7 +112,7 @@
         Ri[i, 0] = Ri_prime[i, 0] = d * (3.0*J[i, 1] + J[i, 2] + 6.0*J[i, 
4])  +  c * J[i, 1]
 
         # The R2.
-        Ri[i, 1] = Ri_prime[i, 1] = 0.5 * d * (4.0*J[i, 0] + 3.0*J[i, 1] + 
J[i, 2] + 6.0*J[i, 3] + 6.0*J[i, 4])  +  c/6.0 * (4.0*J[i, 0] + 3.0*J[i, 1])  
+  rex * (2.0 * pi * omega[3])**2
+        Ri[i, 1] = Ri_prime[i, 1] = 0.5 * d * (4.0*J[i, 0] + 3.0*J[i, 1] + 
J[i, 2] + 6.0*J[i, 3] + 6.0*J[i, 4])  +  c/6.0 * (4.0*J[i, 0] + 3.0*J[i, 1])  
+  rex * (omega[3])**2
 
         # The sigma NOE.
         Ri_prime[i, 2] = d * (6.0*J[i, 4] - J[i, 2])




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