[bug #22554] The distribution of intensity with errors in Monte-Carlo simulations are markedly more narrow than expected. -- August 31, 2014 - 22:48

Follow-up Comment #7, bug #22554 (project relax):

Something weird is happening:

relax> minimise.execute(min_algor='simplex', line_search=None,
hessian_mod=None, hessian_type=None, func_tol=1e-25, grad_tol=None,
max_iter=10000000, constraints=True, scaling=True, verbosity=0)
Resetting the minimisation statistics.
None [921.5580897600001, 748.6864, 553.35411824, 496.30421456000005,
360.04328976]
[    1.035066857518701  1022.4432409176693  ] 0.245202137454 824 1886 0 0 None
Log barrier [[ 1.  0.]
 [-1.  0.]
 [ 0.  1.]] [   0. -200.    0.]

relax> relax_disp.plot_exp_curves(file='tmpk97wh8', dir='/tmp', force=True,
norm=True)
Opening the file '/tmp/tmpk97wh8' for writing.
Grace intensity file is: /tmp/tmpk97wh8 in /tmp for file tmpk97wh8

relax> monte_carlo.setup(number=3)

relax> monte_carlo.create_data(method='back_calc')

relax> monte_carlo.initial_values()

relax> minimise.execute(min_algor='simplex', line_search=None,
hessian_mod=None, hessian_type=None, func_tol=1e-25, grad_tol=None,
max_iter=10000000, constraints=True, scaling=True, verbosity=1)
0 [1834.4491491416306, 1499.1489275070198, 1095.6716334946577,
976.5259731096135, 722.563060550292]
[  1.040684047922508e+00   2.039705568780987e+03] 1.49429853793 758 1773 0 0
None Log barrier [[ 1.  0.]
 [-1.  0.]
 [ 0.  1.]] [   0. -200.    0.]
Simulation 1
1 [1852.4875603169571, 1499.1457457370575, 1110.1771381462654,
993.2545336219156, 735.9938965401652]
[  1.028974809246774e+00   2.049155739845578e+03] 1.07542416653 788 1759 0 0
None Log barrier [[ 1.  0.]
 [-1.  0.]
 [ 0.  1.]] [   0. -200.    0.]
Simulation 2
2 [1835.5770994281788, 1495.4938169679149, 1120.8445034726096,
1003.99837753052, 721.8551762167374]
[  1.016225469398227e+00   2.033590055983061e+03] 4.61464104601 778 1749 0 0
None Log barrier [[ 1.  0.]
 [-1.  0.]
 [ 0.  1.]] [   0. -200.    0.]
Simulation 3


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