Author: bugman Date: Tue Jul 24 16:05:52 2012 New Revision: 17304 URL: http://svn.gna.org/viewcvs/relax?rev=17304&view=rev Log: Updates to more accurate parameters in the CaM frame order test data. Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/cam/opt_stats branches/frame_order_testing/test_suite/shared_data/frame_order/cam/rotor/frame_order.py branches/frame_order_testing/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/cam/opt_stats URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/cam/opt_stats?rev=17304&r1=17303&r2=17304&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/shared_data/frame_order/cam/opt_stats (original) +++ branches/frame_order_testing/test_suite/shared_data/frame_order/cam/opt_stats Tue Jul 24 16:05:52 2012 @@ -6,8 +6,8 @@ Data set RDC + PCS RDC PCS rigid 0.081177248776880595 0.081175629109096842 1.61966778375118e-06 -rotor 0.081245385008720014 0.080805860707868632 0.00043952430085139962 -rotor2 0.081429784279772793 0.081000737779842888 0.00042904649992989879 +rotor 0.081245385008689094 0.080805860707837754 0.00043952430085134254 +rotor2 0.081099286587406602 0.080669539157379247 0.00042974743002734692 rotor_2_state 0.98651255847896457 0.98514936500256733 0.0013631934763973918 free_rotor 0.49751590579526372 0.49726258158951819 0.00025332420574563177 free_rotor2 0.15805819395161055 0.15789122044584425 0.00016697350576634065 @@ -26,14 +26,14 @@ Data set RDC + PCS RDC PCS rigid 0.081177248776880595 0.081175629109096842 1.61966778375118e-06 -rotor 0.1591475347119897 0.080805860707868632 0.078341674004121051 -rotor2 0.14687752080088007 0.081000737779842888 0.065876783021037194 +rotor 0.13723126588106613 0.080805860707837754 0.056425405173228374 +rotor2 0.14648723257135565 0.080669539157379247 0.065817693413976419 rotor_2_state 2.4871012333020976 0.98514936500256733 1.5019518682995305 free_rotor 0.5010702982403058 0.49726258158951819 0.0038077166507876079 free_rotor2 0.16009718934343264 0.15789122044584425 0.0022059688975884064 iso_cone 275.91311056249037 0.047304044109578447 275.86580651838085 iso_cone_free_rotor 25.809427534465456 0.1984082397486189 25.611019294716833 -iso_cone_free_rotor2 14.592812979256083 0.034276292191227402 14.592812979256083 +iso_cone_free_rotor2 14.592812979256083 0.034276292191227402 0.0022059688975884064 iso_cone_torsionless 10.580880766157209 0.04891814690969206 10.531962619247517 pseudo_ellipse 95.104960661017245 0.095461523976414595 95.009499137040834 pseudo_ellipse2 244.0949295795356 0.030991308327923742 244.06393827120766 @@ -46,10 +46,10 @@ Data set RDC + PCS RDC PCS rigid 0.081177248776880595 0.081175629109096842 1.61966778375118e-06 -rotor 0.08143267774193004 0.080805860707868632 0.00062681703406140463 -rotor2 0.081512943983170771 0.081000737779842888 0.00051220620332787751 +rotor 0.081350509342299857 0.080805860707837754 0.00054464863446210287 +rotor2 0.081182393358064028 0.080669539157379247 0.00051285420068479591 rotor_2_state 0.98677067842081889 0.98514936500256733 0.0016213134182515028 -free_rotor 0.49751622809674972 0.49726258158950554 0.00025364650724421056 +free_rotor 0.49751567108917466 0.49726258158950554 0.00025308949965642763 free_rotor2 0.15805817601067934 0.15789122044584425 0.00016695556483507448 iso_cone 0.3157628013631229 0.047304044109578447 0.26845875725354446 iso_cone_free_rotor 0.35153010719749872 0.1984082397486189 0.15312186744887979 @@ -66,8 +66,8 @@ Data set RDC + PCS RDC PCS rigid 0.081177248776880595 0.081175629109096842 1.61966778375118e-06 -rotor 0.08124558750633941 0.080805860707868632 0.00043972679847077115 -rotor2 0x081098953498889667 0.081000737779842888 0x00042941434151042446 +rotor 0.08124558750633941 0.080805860707837754 0.00043972679847077115 +rotor2 0x081098953498889667 0.080669539157379247 0x00042941434151042446 rotor_2_state 0x98651554736334846 0.98514936500256733 0x001366182360781083 free_rotor 0x49751589915599342 0.49726258158951819 0x00025331756647524353 free_rotor2 0.15805818661805654 0.15789122044584425 0.00016696617221228916 Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/cam/rotor/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/cam/rotor/frame_order.py?rev=17304&r1=17303&r2=17304&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/shared_data/frame_order/cam/rotor/frame_order.py (original) +++ branches/frame_order_testing/test_suite/shared_data/frame_order/cam/rotor/frame_order.py Tue Jul 24 16:05:52 2012 @@ -104,8 +104,8 @@ value.set(param='ave_pos_alpha', val=4.3434999280669997) value.set(param='ave_pos_beta', val=0.43544332764249905) value.set(param='ave_pos_gamma', val=3.8013235235956007) - value.set(param='axis_theta', val=2.1815126749944502) - value.set(param='axis_phi', val=0.89068285262982982) + value.set(param='axis_theta', val=0.9600799785953431) + value.set(param='axis_phi', val=4.0322755062196229) value.set(param='cone_sigma_max', val=30.0 / 360.0 * 2.0 * pi) calc() print("\nchi2: %s" % repr(cdp.chi2)) Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py?rev=17304&r1=17303&r2=17304&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py (original) +++ branches/frame_order_testing/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py Tue Jul 24 16:05:52 2012 @@ -104,7 +104,7 @@ value.set(param='ave_pos_alpha', val=4.3434999280669997) value.set(param='ave_pos_beta', val=0.43544332764249905) value.set(param='ave_pos_gamma', val=3.8013235235956007) - value.set(param='axis_theta', val=0.69798281380709504) + value.set(param='axis_theta', val=0.69828059079619353433) value.set(param='axis_phi', val=4.03227550621962294031) value.set(param='cone_sigma_max', val=30.0 / 360.0 * 2.0 * pi) calc()