# created by  ASDP Version 1.0 Copyright(C) 2010
# Fri May 10 22:16:26 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/SOR77_NMR_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q SOR77_NMR_em_bcr3.pdb.iupac 


# Summary for n.peaks
Total simulated peaks: 125 Number of peaks NOT matched in the Peak List: 20
M score = 0.16

Average shift in HX: 0.0014 Average ab-shift in HX: 0.0035(Assignment used: 76)
Average shift in X: -0.011 Average ab-shift in X: 0.032(Assignment used: 70)
Average shift in HX2: -0.0044 Average ab-shift in HX2: 0.0083(Assignment used: 89)

#For peaklist n.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.155(142/918) 
Model   1 Inconsistent score: 0.156(143/918) 
Model   2 Inconsistent score: 0.157(144/918) 
Model   3 Inconsistent score: 0.15(138/918) 
Model   4 Inconsistent score: 0.162(149/918) 
Model   5 Inconsistent score: 0.156(143/918) 
Model   6 Inconsistent score: 0.151(139/918) 
Model   7 Inconsistent score: 0.156(143/918) 
Model   8 Inconsistent score: 0.159(146/918) 
Model   9 Inconsistent score: 0.156(143/918) 
Model  10 Inconsistent score: 0.154(141/918) 
Model  11 Inconsistent score: 0.15(138/918) 
Model  12 Inconsistent score: 0.146(134/918) 
Model  13 Inconsistent score: 0.143(131/918) 
Model  14 Inconsistent score: 0.156(143/918) 
Model  15 Inconsistent score: 0.149(137/918) 
Model  16 Inconsistent score: 0.158(145/918) 
Model  17 Inconsistent score: 0.15(138/918) 
Model  18 Inconsistent score: 0.154(141/918) 
Model  19 Inconsistent score: 0.135(124/918) 
Model  20 Inconsistent score: 0.149(137/918) 
Model ave  Missing interactions: 0.224 (230/1026)
              weighted: 0.0913 (2.14e+05/2.34e+06)
                    <3: 0.0909 (11/121)
                   <3w: 0.124 (1.02e+05/8.2e+05)
Model   1  Missing interactions: 0.231 (246/1063)
              weighted: 0.093 (2.44e+05/2.63e+06)
                    <3: 0.0894 (11/123)
                   <3w: 0.124 (1.03e+05/8.3e+05)
Model   2  Missing interactions: 0.234 (246/1051)
              weighted: 0.0903 (2.38e+05/2.63e+06)
                    <3: 0.0909 (11/121)
                   <3w: 0.121 (9.99e+04/8.23e+05)
Model   3  Missing interactions: 0.223 (233/1047)
              weighted: 0.0856 (2.24e+05/2.62e+06)
                    <3: 0.0909 (11/121)
                   <3w: 0.124 (1.02e+05/8.22e+05)
Model   4  Missing interactions: 0.232 (246/1062)
              weighted: 0.0918 (2.45e+05/2.67e+06)
                    <3: 0.0887 (11/124)
                   <3w: 0.121 (1.01e+05/8.36e+05)
Model   5  Missing interactions: 0.231 (243/1053)
              weighted: 0.0961 (2.45e+05/2.55e+06)
                    <3: 0.0894 (11/123)
                   <3w: 0.123 (1.01e+05/8.23e+05)
Model   6  Missing interactions: 0.232 (246/1061)
              weighted: 0.0923 (2.39e+05/2.59e+06)
                    <3: 0.0894 (11/123)
                   <3w: 0.122 (1.01e+05/8.28e+05)
Model   7  Missing interactions: 0.227 (239/1051)
              weighted: 0.0961 (2.52e+05/2.63e+06)
                    <3: 0.0902 (11/122)
                   <3w: 0.122 (9.97e+04/8.19e+05)
Model   8  Missing interactions: 0.238 (254/1065)
              weighted: 0.107 (2.76e+05/2.58e+06)
                    <3: 0.0924 (11/119)
                   <3w: 0.125 (1.02e+05/8.13e+05)
Model   9  Missing interactions: 0.239 (254/1061)
              weighted: 0.111 (2.98e+05/2.67e+06)
                    <3: 0.0917 (11/120)
                   <3w: 0.125 (1.03e+05/8.24e+05)
Model  10  Missing interactions: 0.225 (236/1049)
              weighted: 0.0919 (2.38e+05/2.59e+06)
                    <3: 0.0894 (11/123)
                   <3w: 0.123 (1.01e+05/8.23e+05)
Model  11  Missing interactions: 0.232 (249/1072)
              weighted: 0.089 (2.31e+05/2.6e+06)
                    <3: 0.0909 (11/121)
                   <3w: 0.123 (1.01e+05/8.22e+05)
Model  12  Missing interactions: 0.237 (252/1063)
              weighted: 0.0989 (2.55e+05/2.58e+06)
                    <3: 0.0894 (11/123)
                   <3w: 0.122 (1.01e+05/8.22e+05)
Model  13  Missing interactions: 0.227 (238/1047)
              weighted: 0.0886 (2.25e+05/2.54e+06)
                    <3: 0.0924 (11/119)
                   <3w: 0.124 (9.93e+04/7.99e+05)
Model  14  Missing interactions: 0.23 (243/1057)
              weighted: 0.0913 (2.37e+05/2.59e+06)
                    <3: 0.0917 (11/120)
                   <3w: 0.122 (9.94e+04/8.14e+05)
Model  15  Missing interactions: 0.229 (244/1067)
              weighted: 0.0909 (2.39e+05/2.63e+06)
                    <3: 0.0924 (11/119)
                   <3w: 0.12 (1.02e+05/8.49e+05)
Model  16  Missing interactions: 0.238 (252/1058)
              weighted: 0.0982 (2.66e+05/2.71e+06)
                    <3: 0.0902 (11/122)
                   <3w: 0.122 (9.98e+04/8.19e+05)
Model  17  Missing interactions: 0.232 (244/1050)
              weighted: 0.0912 (2.37e+05/2.6e+06)
                    <3: 0.088 (11/125)
                   <3w: 0.119 (1.01e+05/8.5e+05)
Model  18  Missing interactions: 0.237 (251/1061)
              weighted: 0.101 (2.62e+05/2.59e+06)
                    <3: 0.0887 (11/124)
                   <3w: 0.124 (1.01e+05/8.15e+05)
Model  19  Missing interactions: 0.232 (251/1083)
              weighted: 0.0884 (2.35e+05/2.66e+06)
                    <3: 0.0894 (11/123)
                   <3w: 0.122 (1e+05/8.21e+05)
Model  20  Missing interactions: 0.229 (238/1041)
              weighted: 0.0898 (2.27e+05/2.53e+06)
                    <3: 0.0894 (11/123)
                   <3w: 0.127 (1.03e+05/8.11e+05)

Model ave
 Recall: 0.845
 Precision: 
       all: 0.776  allw: 0.909
        <3: 0.909  <3w: 0.876

 F-measure:(Recall,Precision)  0.809
 F-measure:(Recall,PrecisionW) 0.876

 F-measure:(0,PrecisionIdeal)  0.952
 F-measure:(0,PrecisionIdealW) 0.934

Model 1
 Recall: 0.844
 Precision: 
       all: 0.769  allw: 0.907
        <3: 0.911  <3w: 0.876

 F-measure:(Recall,Precision)  0.805
 F-measure:(Recall,PrecisionW) 0.874

 F-measure:(0,PrecisionIdeal)  0.953
 F-measure:(0,PrecisionIdealW) 0.934

Model 2
 Recall: 0.843
 Precision: 
       all: 0.766  allw: 0.91
        <3: 0.909  <3w: 0.879

 F-measure:(Recall,Precision)  0.803
 F-measure:(Recall,PrecisionW) 0.875

 F-measure:(0,PrecisionIdeal)  0.952
 F-measure:(0,PrecisionIdealW) 0.935

Model 3
 Recall: 0.85
 Precision: 
       all: 0.777  allw: 0.914
        <3: 0.909  <3w: 0.876

 F-measure:(Recall,Precision)  0.812
 F-measure:(Recall,PrecisionW) 0.881

 F-measure:(0,PrecisionIdeal)  0.952
 F-measure:(0,PrecisionIdealW) 0.934

Model 4
 Recall: 0.838
 Precision: 
       all: 0.768  allw: 0.908
        <3: 0.911  <3w: 0.879

 F-measure:(Recall,Precision)  0.802
 F-measure:(Recall,PrecisionW) 0.872

 F-measure:(0,PrecisionIdeal)  0.954
 F-measure:(0,PrecisionIdealW) 0.936

Model 5
 Recall: 0.844
 Precision: 
       all: 0.769  allw: 0.904
        <3: 0.911  <3w: 0.877

 F-measure:(Recall,Precision)  0.805
 F-measure:(Recall,PrecisionW) 0.873

 F-measure:(0,PrecisionIdeal)  0.953
 F-measure:(0,PrecisionIdealW) 0.935

Model 6
 Recall: 0.849
 Precision: 
       all: 0.768  allw: 0.908
        <3: 0.911  <3w: 0.878

 F-measure:(Recall,Precision)  0.806
 F-measure:(Recall,PrecisionW) 0.877

 F-measure:(0,PrecisionIdeal)  0.953
 F-measure:(0,PrecisionIdealW) 0.935

Model 7
 Recall: 0.844
 Precision: 
       all: 0.773  allw: 0.904
        <3: 0.91  <3w: 0.878

 F-measure:(Recall,Precision)  0.807
 F-measure:(Recall,PrecisionW) 0.873

 F-measure:(0,PrecisionIdeal)  0.953
 F-measure:(0,PrecisionIdealW) 0.935

Model 8
 Recall: 0.841
 Precision: 
       all: 0.762  allw: 0.893
        <3: 0.908  <3w: 0.875

 F-measure:(Recall,Precision)  0.799
 F-measure:(Recall,PrecisionW) 0.866

 F-measure:(0,PrecisionIdeal)  0.952
 F-measure:(0,PrecisionIdealW) 0.933

Model 9
 Recall: 0.844
 Precision: 
       all: 0.761  allw: 0.889
        <3: 0.908  <3w: 0.875

 F-measure:(Recall,Precision)  0.8
 F-measure:(Recall,PrecisionW) 0.866

 F-measure:(0,PrecisionIdeal)  0.952
 F-measure:(0,PrecisionIdealW) 0.934

Model 10
 Recall: 0.846
 Precision: 
       all: 0.775  allw: 0.908
        <3: 0.911  <3w: 0.877

 F-measure:(Recall,Precision)  0.809
 F-measure:(Recall,PrecisionW) 0.876

 F-measure:(0,PrecisionIdeal)  0.953
 F-measure:(0,PrecisionIdealW) 0.934

Model 11
 Recall: 0.85
 Precision: 
       all: 0.768  allw: 0.911
        <3: 0.909  <3w: 0.877

 F-measure:(Recall,Precision)  0.807
 F-measure:(Recall,PrecisionW) 0.879

 F-measure:(0,PrecisionIdeal)  0.952
 F-measure:(0,PrecisionIdealW) 0.935

Model 12
 Recall: 0.854
 Precision: 
       all: 0.763  allw: 0.901
        <3: 0.911  <3w: 0.878

 F-measure:(Recall,Precision)  0.806
 F-measure:(Recall,PrecisionW) 0.877

 F-measure:(0,PrecisionIdeal)  0.953
 F-measure:(0,PrecisionIdealW) 0.935

Model 13
 Recall: 0.857
 Precision: 
       all: 0.773  allw: 0.911
        <3: 0.908  <3w: 0.876

 F-measure:(Recall,Precision)  0.813
 F-measure:(Recall,PrecisionW) 0.884

 F-measure:(0,PrecisionIdeal)  0.952
 F-measure:(0,PrecisionIdealW) 0.934

Model 14
 Recall: 0.844
 Precision: 
       all: 0.77  allw: 0.909
        <3: 0.908  <3w: 0.878

 F-measure:(Recall,Precision)  0.805
 F-measure:(Recall,PrecisionW) 0.875

 F-measure:(0,PrecisionIdeal)  0.952
 F-measure:(0,PrecisionIdealW) 0.935

Model 15
 Recall: 0.851
 Precision: 
       all: 0.771  allw: 0.909
        <3: 0.908  <3w: 0.88

 F-measure:(Recall,Precision)  0.809
 F-measure:(Recall,PrecisionW) 0.879

 F-measure:(0,PrecisionIdeal)  0.952
 F-measure:(0,PrecisionIdealW) 0.936

Model 16
 Recall: 0.842
 Precision: 
       all: 0.762  allw: 0.902
        <3: 0.91  <3w: 0.878

 F-measure:(Recall,Precision)  0.8
 F-measure:(Recall,PrecisionW) 0.871

 F-measure:(0,PrecisionIdeal)  0.953
 F-measure:(0,PrecisionIdealW) 0.935

Model 17
 Recall: 0.85
 Precision: 
       all: 0.768  allw: 0.909
        <3: 0.912  <3w: 0.881

 F-measure:(Recall,Precision)  0.807
 F-measure:(Recall,PrecisionW) 0.878

 F-measure:(0,PrecisionIdeal)  0.954
 F-measure:(0,PrecisionIdealW) 0.937

Model 18
 Recall: 0.846
 Precision: 
       all: 0.763  allw: 0.899
        <3: 0.911  <3w: 0.876

 F-measure:(Recall,Precision)  0.803
 F-measure:(Recall,PrecisionW) 0.872

 F-measure:(0,PrecisionIdeal)  0.954
 F-measure:(0,PrecisionIdealW) 0.934

Model 19
 Recall: 0.865
 Precision: 
       all: 0.768  allw: 0.912
        <3: 0.911  <3w: 0.878

 F-measure:(Recall,Precision)  0.814
 F-measure:(Recall,PrecisionW) 0.888

 F-measure:(0,PrecisionIdeal)  0.953
 F-measure:(0,PrecisionIdealW) 0.935

Model 20
 Recall: 0.851
 Precision: 
       all: 0.771  allw: 0.91
        <3: 0.911  <3w: 0.873

 F-measure:(Recall,Precision)  0.809
 F-measure:(Recall,PrecisionW) 0.879

 F-measure:(0,PrecisionIdeal)  0.953
 F-measure:(0,PrecisionIdealW) 0.932

For freely-rotating-chain model:
Model ave Inconsistent score: 0.405(372/918) 
Model ave  Missing interactions: 0.19 (112/589)
              weighted: 0.133 (4.76e+04/3.58e+05)
                    <3: 0.0909 (11/121)
                   <3w: 0.118 (2.41e+04/2.04e+05)

 Recall: 0.595
 Precision: 
       all: 0.81  allw: 0.867

 F-measure:(RecallFree,PrecisionFree)  0.686
 F-measure:(ReallFree,PrecisionFreeW) 0.706

# Summary for c_aro.peaks
Total simulated peaks: 6 Number of peaks NOT matched in the Peak List: 0
M score = 0

Average shift in HX: 0.0011 Average ab-shift in HX: 0.0019(Assignment used: 4)
Average shift in X: 0.049 Average ab-shift in X: 0.061(Assignment used: 4)
Average shift in HX2: 0.0023 Average ab-shift in HX2: 0.0037(Assignment used: 6)

#For peaklist c_aro.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.269(21/78) 
Model   1 Inconsistent score: 0.269(21/78) 
Model   2 Inconsistent score: 0.308(24/78) 
Model   3 Inconsistent score: 0.295(23/78) 
Model   4 Inconsistent score: 0.321(25/78) 
Model   5 Inconsistent score: 0.308(24/78) 
Model   6 Inconsistent score: 0.282(22/78) 
Model   7 Inconsistent score: 0.308(24/78) 
Model   8 Inconsistent score: 0.308(24/78) 
Model   9 Inconsistent score: 0.333(26/78) 
Model  10 Inconsistent score: 0.359(28/78) 
Model  11 Inconsistent score: 0.346(27/78) 
Model  12 Inconsistent score: 0.308(24/78) 
Model  13 Inconsistent score: 0.359(28/78) 
Model  14 Inconsistent score: 0.333(26/78) 
Model  15 Inconsistent score: 0.321(25/78) 
Model  16 Inconsistent score: 0.333(26/78) 
Model  17 Inconsistent score: 0.346(27/78) 
Model  18 Inconsistent score: 0.282(22/78) 
Model  19 Inconsistent score: 0.321(25/78) 
Model  20 Inconsistent score: 0.372(29/78) 
Model ave  Missing interactions: 0.343 (23/67)
              weighted: 0.0566 (3.08e+03/5.44e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0368 (693/1.88e+04)
Model   1  Missing interactions: 0.368 (25/68)
              weighted: 0.0679 (4.07e+03/5.99e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model   2  Missing interactions: 0.386 (27/70)
              weighted: 0.0585 (4.6e+03/7.85e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model   3  Missing interactions: 0.344 (21/61)
              weighted: 0.0467 (3.13e+03/6.7e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model   4  Missing interactions: 0.328 (20/61)
              weighted: 0.0566 (2.99e+03/5.28e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0368 (693/1.88e+04)
Model   5  Missing interactions: 0.328 (21/64)
              weighted: 0.0551 (3.29e+03/5.98e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model   6  Missing interactions: 0.353 (24/68)
              weighted: 0.0541 (3.46e+03/6.38e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model   7  Missing interactions: 0.344 (22/64)
              weighted: 0.0586 (3.55e+03/6.07e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0368 (693/1.88e+04)
Model   8  Missing interactions: 0.388 (26/67)
              weighted: 0.0619 (3.83e+03/6.19e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0368 (693/1.88e+04)
Model   9  Missing interactions: 0.406 (26/64)
              weighted: 0.0577 (3.58e+03/6.21e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model  10  Missing interactions: 0.403 (25/62)
              weighted: 0.0681 (3.88e+03/5.7e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model  11  Missing interactions: 0.367 (22/60)
              weighted: 0.0572 (3.58e+03/6.27e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0368 (693/1.88e+04)
Model  12  Missing interactions: 0.354 (23/65)
              weighted: 0.0548 (3.25e+03/5.93e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model  13  Missing interactions: 0.4 (24/60)
              weighted: 0.0719 (3.81e+03/5.3e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model  14  Missing interactions: 0.362 (21/58)
              weighted: 0.0557 (3.12e+03/5.61e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0368 (693/1.88e+04)
Model  15  Missing interactions: 0.42 (29/69)
              weighted: 0.118 (6.65e+03/5.62e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0368 (693/1.88e+04)
Model  16  Missing interactions: 0.446 (29/65)
              weighted: 0.168 (1.08e+04/6.42e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0371 (698/1.88e+04)
Model  17  Missing interactions: 0.393 (24/61)
              weighted: 0.0543 (3.3e+03/6.08e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model  18  Missing interactions: 0.333 (22/66)
              weighted: 0.0609 (3.47e+03/5.7e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model  19  Missing interactions: 0.4 (26/65)
              weighted: 0.0601 (3.7e+03/6.16e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0368 (693/1.88e+04)
Model  20  Missing interactions: 0.417 (25/60)
              weighted: 0.0526 (3.03e+03/5.76e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0368 (693/1.88e+04)

Model ave
 Recall: 0.731
 Precision: 
       all: 0.657  allw: 0.943
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.692
 F-measure:(Recall,PrecisionW) 0.824

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 1
 Recall: 0.731
 Precision: 
       all: 0.632  allw: 0.932
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.678
 F-measure:(Recall,PrecisionW) 0.819

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 2
 Recall: 0.692
 Precision: 
       all: 0.614  allw: 0.941
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.651
 F-measure:(Recall,PrecisionW) 0.798

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 3
 Recall: 0.705
 Precision: 
       all: 0.656  allw: 0.953
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.68
 F-measure:(Recall,PrecisionW) 0.811

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 4
 Recall: 0.679
 Precision: 
       all: 0.672  allw: 0.943
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.676
 F-measure:(Recall,PrecisionW) 0.79

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 5
 Recall: 0.692
 Precision: 
       all: 0.672  allw: 0.945
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.682
 F-measure:(Recall,PrecisionW) 0.799

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 6
 Recall: 0.718
 Precision: 
       all: 0.647  allw: 0.946
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.681
 F-measure:(Recall,PrecisionW) 0.816

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 7
 Recall: 0.692
 Precision: 
       all: 0.656  allw: 0.941
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.674
 F-measure:(Recall,PrecisionW) 0.798

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 8
 Recall: 0.692
 Precision: 
       all: 0.612  allw: 0.938
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.65
 F-measure:(Recall,PrecisionW) 0.797

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 9
 Recall: 0.667
 Precision: 
       all: 0.594  allw: 0.942
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.628
 F-measure:(Recall,PrecisionW) 0.781

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 10
 Recall: 0.641
 Precision: 
       all: 0.597  allw: 0.932
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.618
 F-measure:(Recall,PrecisionW) 0.76

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 11
 Recall: 0.654
 Precision: 
       all: 0.633  allw: 0.943
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.643
 F-measure:(Recall,PrecisionW) 0.772

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 12
 Recall: 0.692
 Precision: 
       all: 0.646  allw: 0.945
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.668
 F-measure:(Recall,PrecisionW) 0.799

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 13
 Recall: 0.641
 Precision: 
       all: 0.6  allw: 0.928
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.62
 F-measure:(Recall,PrecisionW) 0.758

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 14
 Recall: 0.667
 Precision: 
       all: 0.638  allw: 0.944
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.652
 F-measure:(Recall,PrecisionW) 0.782

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 15
 Recall: 0.679
 Precision: 
       all: 0.58  allw: 0.882
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.626
 F-measure:(Recall,PrecisionW) 0.767

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 16
 Recall: 0.667
 Precision: 
       all: 0.554  allw: 0.832
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.605
 F-measure:(Recall,PrecisionW) 0.74

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 17
 Recall: 0.654
 Precision: 
       all: 0.607  allw: 0.946
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.629
 F-measure:(Recall,PrecisionW) 0.773

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 18
 Recall: 0.718
 Precision: 
       all: 0.667  allw: 0.939
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.691
 F-measure:(Recall,PrecisionW) 0.814

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 19
 Recall: 0.679
 Precision: 
       all: 0.6  allw: 0.94
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.637
 F-measure:(Recall,PrecisionW) 0.789

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

Model 20
 Recall: 0.628
 Precision: 
       all: 0.583  allw: 0.947
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.605
 F-measure:(Recall,PrecisionW) 0.755

 F-measure:(0,PrecisionIdeal)  0.5
 F-measure:(0,PrecisionIdealW) 0.981

For freely-rotating-chain model:
Model ave Inconsistent score: 0.692(54/78) 
Model ave  Missing interactions: 0.483 (14/29)
              weighted: 0.52 (4.74e+03/9.12e+03)
                    <3: 0.667 (4/6)
                   <3w: 0.667 (3.71e+03/5.57e+03)

 Recall: 0.308
 Precision: 
       all: 0.517  allw: 0.48

 F-measure:(RecallFree,PrecisionFree)  0.386
 F-measure:(ReallFree,PrecisionFreeW) 0.375

# Summary for c_ali.peaks
Total simulated peaks: 551 Number of peaks NOT matched in the Peak List: 400
M score = 0.73

Average shift in HX: 0.00021 Average ab-shift in HX: 0.0043(Assignment used: 71)
Average shift in X: 0.006 Average ab-shift in X: 0.051(Assignment used: 47)
Average shift in HX2: -0.0012 Average ab-shift in HX2: 0.0064(Assignment used: 96)
Input error: M-score > 0.5


 Final M-score 0.152672 20/131

Model ave

 Final Recall-score for input query structures: 0.836345
 Final Precision-score for input query structures: 0.909448

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.877802

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.871
 F-score of ideal true structures:       0.935
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.742972

Model 1

 Final Recall-score for input query structures: 0.835341
 Final Precision-score for input query structures: 0.907561

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.878233

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.87
 F-score of ideal true structures:       0.935
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.738956

Model 2

 Final Recall-score for input query structures: 0.831325
 Final Precision-score for input query structures: 0.910617

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.880588

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.869
 F-score of ideal true structures:       0.937
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.729084

Model 3

 Final Recall-score for input query structures: 0.838353
 Final Precision-score for input query structures: 0.915413

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.878343

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.875
 F-score of ideal true structures:       0.935
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.759036

Model 4

 Final Recall-score for input query structures: 0.825301
 Final Precision-score for input query structures: 0.908929

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.881125

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.865
 F-score of ideal true structures:       0.937
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.713148

Model 5

 Final Recall-score for input query structures: 0.832329
 Final Precision-score for input query structures: 0.904799

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.87917

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.867
 F-score of ideal true structures:       0.936
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.724

Model 6

 Final Recall-score for input query structures: 0.838353
 Final Precision-score for input query structures: 0.908648

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.880213

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.872
 F-score of ideal true structures:       0.936
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.744

Model 7

 Final Recall-score for input query structures: 0.832329
 Final Precision-score for input query structures: 0.904721

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.880146

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.867
 F-score of ideal true structures:       0.936
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.724

Model 8

 Final Recall-score for input query structures: 0.829317
 Final Precision-score for input query structures: 0.89382

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.876536

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.86
 F-score of ideal true structures:       0.934
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.701613

Model 9

 Final Recall-score for input query structures: 0.830321
 Final Precision-score for input query structures: 0.88987

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.87736

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.859
 F-score of ideal true structures:       0.935
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.694779

Model 10

 Final Recall-score for input query structures: 0.830321
 Final Precision-score for input query structures: 0.908588

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.878703

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.868
 F-score of ideal true structures:       0.935
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.730924

Model 11

 Final Recall-score for input query structures: 0.834337
 Final Precision-score for input query structures: 0.911797

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.879359

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.871
 F-score of ideal true structures:       0.936
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.74

Model 12

 Final Recall-score for input query structures: 0.841365
 Final Precision-score for input query structures: 0.902047

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.879491

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.871
 F-score of ideal true structures:       0.936
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.74

Model 13

 Final Recall-score for input query structures: 0.840361
 Final Precision-score for input query structures: 0.911737

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.877672

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.875
 F-score of ideal true structures:       0.935
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.759036

Model 14

 Final Recall-score for input query structures: 0.830321
 Final Precision-score for input query structures: 0.909407

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.879808

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.868
 F-score of ideal true structures:       0.936
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.728

Model 15

 Final Recall-score for input query structures: 0.837349
 Final Precision-score for input query structures: 0.908509

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.881962

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.871
 F-score of ideal true structures:       0.937
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.737052

Model 16

 Final Recall-score for input query structures: 0.828313
 Final Precision-score for input query structures: 0.900175

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.88003

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.863
 F-score of ideal true structures:       0.936
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.708

Model 17

 Final Recall-score for input query structures: 0.834337
 Final Precision-score for input query structures: 0.909642

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.882729

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.87
 F-score of ideal true structures:       0.938
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.730159

Model 18

 Final Recall-score for input query structures: 0.836345
 Final Precision-score for input query structures: 0.8996

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.878225

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.867
 F-score of ideal true structures:       0.935
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.726908

Model 19

 Final Recall-score for input query structures: 0.850402
 Final Precision-score for input query structures: 0.91228

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.879981

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.88
 F-score of ideal true structures:       0.936
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.776

Model 20

 Final Recall-score for input query structures: 0.833333
 Final Precision-score for input query structures: 0.910988

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.874643

 Final Recall-score for freely-rotating-chain model: 0.572289
 Final Precision-score for freely-rotating-chain model: 0.857542

 Summary:
 F-score of input query structures:      0.87
 F-score of ideal true structures:       0.933
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.744939

Statistics: 
=========== 

NOESY_Assign:
      User CPU Time:       17.7 sec.
      Syst CPU Time:       0.23 sec.
Other Processes:
      User CPU Time:        0.4 sec.
      Syst CPU Time:       0.03 sec.

Total Elapsed Time:       18.4 sec. 
