mail[task #7807] Speed-up of dispersion models for Clustered analysis


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Posted by Troels E. Linnet on June 08, 2014 - 20:34:
Follow-up Comment #24, task #7807 (project relax):

relax_disp_spin_speed -s
Relax_disp.test_hansen_cpmg_data_missing_auto_analysis --time -d

Optimised parameters:

Parameter            Value (:4)           Value (:70)          Value (:71)    
    
R2 (500 MHz)             1.60456873699084     6.97235130701478    
4.98111647969012
R2 (800 MHz)             1.63225063409431     9.40988386796136  
0.0590835112910213
pA                      0.543909594668731    0.989856745034836   
0.996608013844177
dw                   6.63536592789307e-13     5.60878828496508    
4.34425685338434
kex                  5.58192185204703e-09     1752.93345983946    
1937.21776309767
chi2                      26.735669529984     53.8382172686881    
5.51703749012445

F    17.18 s for Relax_disp.test_hansen_cpmg_data_missing_auto_analysis

======================================================================
FAIL: test_hansen_cpmg_data_missing_auto_analysis
(test_suite.system_tests.relax_disp.Relax_disp)
Test of the dispersion auto-analysis using Dr. Flemming Hansen's CPMG data
with parts missing.
----------------------------------------------------------------------
Traceback (most recent call last):
  File
"/Users/tlinnet/software/disp_spin_speed/test_suite/system_tests/relax_disp.py",
line 2237, in test_hansen_cpmg_data_missing_auto_analysis
    self.assertAlmostEqual(spin4.pA, 0.899911303159742, 3)
AssertionError: 0.54390959466873079 != 0.899911303159742 within 3 places



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