r22949 - /trunk/specific_analyses/relax_disp/parameter_object.py -- May 04, 2014 - 20:45

Author: tlinnet
Date: Sun May  4 20:45:05 2014
New Revision: 22949

URL: http://svn.gna.org/viewcvs/relax?rev=22949&view=rev
Log:
Changed the default value of pA=0.99 and kex=1000.

When doing a grid search in the auto-analysis, one can set "None".
This will then use default values specified for parameters, instead of a grid 
search.

pA is best to start at 0.99, than 0.95.

Modified:
    trunk/specific_analyses/relax_disp/parameter_object.py

Modified: trunk/specific_analyses/relax_disp/parameter_object.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/parameter_object.py?rev=22949&r1=22948&r2=22949&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/parameter_object.py      (original)
+++ trunk/specific_analyses/relax_disp/parameter_object.py      Sun May  4 
20:45:05 2014
@@ -61,7 +61,7 @@
         self._add('r2', scope='spin', default=10.0, desc='The transversal 
relaxation rate', set='params', py_type=dict, grace_string='\\qR\\s2\\N\\Q 
(rad.s\\S-1\\N)', err=True, sim=True)
         self._add('r2a', scope='spin', default=10.0, desc='The transversal 
relaxation rate for state A in the absence of exchange', set='params', 
py_type=dict, grace_string='\\qR\\s2,A\\N\\Q (rad.s\\S-1\\N)', err=True, 
sim=True)
         self._add('r2b', scope='spin', default=10.0, desc='The transversal 
relaxation rate for state B in the absence of exchange', set='params', 
py_type=dict, grace_string='\\qR\\s2,B\\N\\Q (rad.s\\S-1\\N)', err=True, 
sim=True)
-        self._add('pA', scope='spin', default=0.95, desc='The population for 
state A', set='params', py_type=float, grace_string='\\qp\\sA\\N\\Q', 
err=True, sim=True)
+        self._add('pA', scope='spin', default=0.99, desc='The population for 
state A', set='params', py_type=float, grace_string='\\qp\\sA\\N\\Q', 
err=True, sim=True)
         self._add('pB', scope='spin', default=0.5, desc='The population for 
state B', set='params', py_type=float, grace_string='\\qp\\sB\\N\\Q', 
err=True, sim=True)
         self._add('pC', scope='spin', default=0.5, desc='The population for 
state C', set='params', py_type=float, grace_string='\\qp\\sC\\N\\Q', 
err=True, sim=True)
         self._add('phi_ex', scope='spin', default=5.0, desc='The phi_ex = 
pA.pB.dw**2 value (ppm^2)', set='params', py_type=float, 
grace_string='\\xF\\B\\sex\\N = \\q p\\sA\\N.p\\sB\\N.\\xDw\\B\\S2\\N\\Q  
(ppm\\S2\\N)', err=True, sim=True)
@@ -76,7 +76,7 @@
         self._add('dwH_AB', scope='spin', default=0.0, desc='The proton 
chemical shift difference between states A and B for 3-site exchange (in 
ppm)', set='params', py_type=float, 
grace_string='\\q\\xDw\\B\\sH\\N\\Q\\SAB\\N (ppm)', err=True, sim=True)
         self._add('dwH_AC', scope='spin', default=0.0, desc='The proton 
chemical shift difference between states A and C for 3-site exchange (in 
ppm)', set='params', py_type=float, 
grace_string='\\q\\xDw\\B\\sH\\N\\Q\\SAC\\N (ppm)', err=True, sim=True)
         self._add('dwH_BC', scope='spin', default=0.0, desc='The proton 
chemical shift difference between states B and C for 3-site exchange (in 
ppm)', set='params', py_type=float, 
grace_string='\\q\\xDw\\B\\sH\\N\\Q\\SBC\\N (ppm)', err=True, sim=True)
-        self._add('kex', scope='spin', default=10000.0, desc='The exchange 
rate', set='params', py_type=float, grace_string='\\qk\\sex\\N\\Q 
(rad.s\\S-1\\N)', err=True, sim=True)
+        self._add('kex', scope='spin', default=1000.0, desc='The exchange 
rate', set='params', py_type=float, grace_string='\\qk\\sex\\N\\Q 
(rad.s\\S-1\\N)', err=True, sim=True)
         self._add('kex_AB', scope='spin', default=10000.0, desc='The 
exchange rate between sites A and B for 3-site exchange with kex_AB = k_AB + 
k_BA (rad.s^-1)', set='params', py_type=float, 
grace_string='\\qk\\sex\\N\\Q\\SAB\\N (rad.s\\S-1\\N)', err=True, sim=True)
         self._add('kex_AC', scope='spin', default=10000.0, desc='The 
exchange rate between sites A and C for 3-site exchange with kex_AC = k_AC + 
k_CA (rad.s^-1)', set='params', py_type=float, 
grace_string='\\qk\\sex\\N\\Q\\SAC\\N (rad.s\\S-1\\N)', err=True, sim=True)
         self._add('kex_BC', scope='spin', default=10000.0, desc='The 
exchange rate between sites B and C for 3-site exchange with kex_BC = k_BC + 
k_CB (rad.s^-1)', set='params', py_type=float, 
grace_string='\\qk\\sex\\N\\Q\\SBC\\N (rad.s\\S-1\\N)', err=True, sim=True)