# created by  ASDP Version 1.0 Copyright(C) 2010
# Tue May 14 14:45:51 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/SOR77_R3Cons_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q SOR77_R3Cons_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: 0.122(112/918) 
Model   1 Inconsistent score: 0.121(111/918) 
Model   2 Inconsistent score: 0.118(108/918) 
Model   3 Inconsistent score: 0.124(114/918) 
Model   4 Inconsistent score: 0.123(113/918) 
Model   5 Inconsistent score: 0.118(108/918) 
Model   6 Inconsistent score: 0.121(111/918) 
Model   7 Inconsistent score: 0.113(104/918) 
Model   8 Inconsistent score: 0.11(101/918) 
Model   9 Inconsistent score: 0.125(115/918) 
Model  10 Inconsistent score: 0.121(111/918) 
Model  11 Inconsistent score: 0.12(110/918) 
Model  12 Inconsistent score: 0.126(116/918) 
Model  13 Inconsistent score: 0.125(115/918) 
Model  14 Inconsistent score: 0.124(114/918) 
Model  15 Inconsistent score: 0.129(118/918) 
Model  16 Inconsistent score: 0.121(111/918) 
Model  17 Inconsistent score: 0.12(110/918) 
Model  18 Inconsistent score: 0.118(108/918) 
Model ave  Missing interactions: 0.254 (296/1164)
              weighted: 0.0867 (2.49e+05/2.87e+06)
                    <3: 0.0894 (11/123)
                   <3w: 0.125 (1.03e+05/8.24e+05)
Model   1  Missing interactions: 0.268 (320/1196)
              weighted: 0.103 (3.24e+05/3.14e+06)
                    <3: 0.088 (11/125)
                   <3w: 0.132 (1.12e+05/8.45e+05)
Model   2  Missing interactions: 0.258 (308/1195)
              weighted: 0.0895 (2.76e+05/3.09e+06)
                    <3: 0.0859 (11/128)
                   <3w: 0.123 (1.01e+05/8.22e+05)
Model   3  Missing interactions: 0.264 (313/1186)
              weighted: 0.0866 (2.83e+05/3.26e+06)
                    <3: 0.0866 (11/127)
                   <3w: 0.12 (1.01e+05/8.42e+05)
Model   4  Missing interactions: 0.276 (336/1217)
              weighted: 0.101 (3.11e+05/3.08e+06)
                    <3: 0.0866 (11/127)
                   <3w: 0.123 (9.99e+04/8.11e+05)
Model   5  Missing interactions: 0.265 (318/1202)
              weighted: 0.105 (3.4e+05/3.25e+06)
                    <3: 0.0873 (11/126)
                   <3w: 0.117 (1e+05/8.54e+05)
Model   6  Missing interactions: 0.243 (283/1167)
              weighted: 0.0857 (2.69e+05/3.13e+06)
                    <3: 0.0859 (11/128)
                   <3w: 0.12 (9.95e+04/8.28e+05)
Model   7  Missing interactions: 0.266 (319/1200)
              weighted: 0.0872 (2.85e+05/3.27e+06)
                    <3: 0.0894 (11/123)
                   <3w: 0.123 (9.96e+04/8.08e+05)
Model   8  Missing interactions: 0.27 (330/1223)
              weighted: 0.094 (2.99e+05/3.18e+06)
                    <3: 0.0859 (11/128)
                   <3w: 0.121 (1e+05/8.31e+05)
Model   9  Missing interactions: 0.261 (308/1182)
              weighted: 0.088 (2.77e+05/3.15e+06)
                    <3: 0.0873 (11/126)
                   <3w: 0.12 (9.97e+04/8.28e+05)
Model  10  Missing interactions: 0.282 (345/1225)
              weighted: 0.0993 (3.2e+05/3.22e+06)
                    <3: 0.0866 (11/127)
                   <3w: 0.118 (1e+05/8.45e+05)
Model  11  Missing interactions: 0.262 (313/1193)
              weighted: 0.0967 (3.01e+05/3.11e+06)
                    <3: 0.0866 (11/127)
                   <3w: 0.121 (9.96e+04/8.25e+05)
Model  12  Missing interactions: 0.26 (309/1187)
              weighted: 0.0909 (2.85e+05/3.14e+06)
                    <3: 0.0873 (11/126)
                   <3w: 0.119 (1.01e+05/8.48e+05)
Model  13  Missing interactions: 0.276 (336/1219)
              weighted: 0.0951 (2.99e+05/3.15e+06)
                    <3: 0.0866 (11/127)
                   <3w: 0.126 (1.01e+05/8.02e+05)
Model  14  Missing interactions: 0.266 (320/1202)
              weighted: 0.092 (2.93e+05/3.19e+06)
                    <3: 0.0866 (11/127)
                   <3w: 0.133 (1.12e+05/8.36e+05)
Model  15  Missing interactions: 0.26 (309/1187)
              weighted: 0.09 (2.85e+05/3.17e+06)
                    <3: 0.0887 (11/124)
                   <3w: 0.122 (9.98e+04/8.2e+05)
Model  16  Missing interactions: 0.264 (311/1180)
              weighted: 0.0954 (2.99e+05/3.14e+06)
                    <3: 0.0894 (11/123)
                   <3w: 0.135 (1.12e+05/8.3e+05)
Model  17  Missing interactions: 0.264 (321/1214)
              weighted: 0.0949 (3e+05/3.16e+06)
                    <3: 0.0866 (11/127)
                   <3w: 0.12 (1e+05/8.35e+05)
Model  18  Missing interactions: 0.257 (304/1181)
              weighted: 0.0975 (3.1e+05/3.18e+06)
                    <3: 0.0894 (11/123)
                   <3w: 0.133 (1.11e+05/8.31e+05)

Model ave
 Recall: 0.878
 Precision: 
       all: 0.746  allw: 0.913
        <3: 0.911  <3w: 0.875

 F-measure:(Recall,Precision)  0.806
 F-measure:(Recall,PrecisionW) 0.895

 F-measure:(0,PrecisionIdeal)  0.953
 F-measure:(0,PrecisionIdealW) 0.933

Model 1
 Recall: 0.879
 Precision: 
       all: 0.732  allw: 0.897
        <3: 0.912  <3w: 0.868

 F-measure:(Recall,Precision)  0.799
 F-measure:(Recall,PrecisionW) 0.888

 F-measure:(0,PrecisionIdeal)  0.954
 F-measure:(0,PrecisionIdealW) 0.929

Model 2
 Recall: 0.882
 Precision: 
       all: 0.742  allw: 0.91
        <3: 0.914  <3w: 0.877

 F-measure:(Recall,Precision)  0.806
 F-measure:(Recall,PrecisionW) 0.896

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.935

Model 3
 Recall: 0.876
 Precision: 
       all: 0.736  allw: 0.913
        <3: 0.913  <3w: 0.88

 F-measure:(Recall,Precision)  0.8
 F-measure:(Recall,PrecisionW) 0.894

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.936

Model 4
 Recall: 0.877
 Precision: 
       all: 0.724  allw: 0.899
        <3: 0.913  <3w: 0.877

 F-measure:(Recall,Precision)  0.793
 F-measure:(Recall,PrecisionW) 0.888

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.934

Model 5
 Recall: 0.882
 Precision: 
       all: 0.735  allw: 0.895
        <3: 0.913  <3w: 0.883

 F-measure:(Recall,Precision)  0.802
 F-measure:(Recall,PrecisionW) 0.889

 F-measure:(0,PrecisionIdeal)  0.954
 F-measure:(0,PrecisionIdealW) 0.938

Model 6
 Recall: 0.879
 Precision: 
       all: 0.757  allw: 0.914
        <3: 0.914  <3w: 0.88

 F-measure:(Recall,Precision)  0.814
 F-measure:(Recall,PrecisionW) 0.896

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.936

Model 7
 Recall: 0.887
 Precision: 
       all: 0.734  allw: 0.913
        <3: 0.911  <3w: 0.877

 F-measure:(Recall,Precision)  0.803
 F-measure:(Recall,PrecisionW) 0.9

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

Model 8
 Recall: 0.89
 Precision: 
       all: 0.73  allw: 0.906
        <3: 0.914  <3w: 0.879

 F-measure:(Recall,Precision)  0.802
 F-measure:(Recall,PrecisionW) 0.898

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.936

Model 9
 Recall: 0.875
 Precision: 
       all: 0.739  allw: 0.912
        <3: 0.913  <3w: 0.88

 F-measure:(Recall,Precision)  0.801
 F-measure:(Recall,PrecisionW) 0.893

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

Model 10
 Recall: 0.879
 Precision: 
       all: 0.718  allw: 0.901
        <3: 0.913  <3w: 0.882

 F-measure:(Recall,Precision)  0.791
 F-measure:(Recall,PrecisionW) 0.89

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.937

Model 11
 Recall: 0.88
 Precision: 
       all: 0.738  allw: 0.903
        <3: 0.913  <3w: 0.879

 F-measure:(Recall,Precision)  0.803
 F-measure:(Recall,PrecisionW) 0.892

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.936

Model 12
 Recall: 0.874
 Precision: 
       all: 0.74  allw: 0.909
        <3: 0.913  <3w: 0.881

 F-measure:(Recall,Precision)  0.801
 F-measure:(Recall,PrecisionW) 0.891

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

Model 13
 Recall: 0.875
 Precision: 
       all: 0.724  allw: 0.905
        <3: 0.913  <3w: 0.874

 F-measure:(Recall,Precision)  0.792
 F-measure:(Recall,PrecisionW) 0.89

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.933

Model 14
 Recall: 0.876
 Precision: 
       all: 0.734  allw: 0.908
        <3: 0.913  <3w: 0.867

 F-measure:(Recall,Precision)  0.799
 F-measure:(Recall,PrecisionW) 0.892

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.929

Model 15
 Recall: 0.871
 Precision: 
       all: 0.74  allw: 0.91
        <3: 0.911  <3w: 0.878

 F-measure:(Recall,Precision)  0.8
 F-measure:(Recall,PrecisionW) 0.89

 F-measure:(0,PrecisionIdeal)  0.954
 F-measure:(0,PrecisionIdealW) 0.935

Model 16
 Recall: 0.879
 Precision: 
       all: 0.736  allw: 0.905
        <3: 0.911  <3w: 0.865

 F-measure:(Recall,Precision)  0.801
 F-measure:(Recall,PrecisionW) 0.892

 F-measure:(0,PrecisionIdeal)  0.953
 F-measure:(0,PrecisionIdealW) 0.928

Model 17
 Recall: 0.88
 Precision: 
       all: 0.736  allw: 0.905
        <3: 0.913  <3w: 0.88

 F-measure:(Recall,Precision)  0.801
 F-measure:(Recall,PrecisionW) 0.892

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.936

Model 18
 Recall: 0.882
 Precision: 
       all: 0.743  allw: 0.902
        <3: 0.911  <3w: 0.867

 F-measure:(Recall,Precision)  0.806
 F-measure:(Recall,PrecisionW) 0.892

 F-measure:(0,PrecisionIdeal)  0.953
 F-measure:(0,PrecisionIdealW) 0.929

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: 0.282(22/78) 
Model   3 Inconsistent score: 0.256(20/78) 
Model   4 Inconsistent score: 0.282(22/78) 
Model   5 Inconsistent score: 0.231(18/78) 
Model   6 Inconsistent score: 0.282(22/78) 
Model   7 Inconsistent score: 0.269(21/78) 
Model   8 Inconsistent score: 0.295(23/78) 
Model   9 Inconsistent score: 0.269(21/78) 
Model  10 Inconsistent score: 0.295(23/78) 
Model  11 Inconsistent score: 0.244(19/78) 
Model  12 Inconsistent score: 0.282(22/78) 
Model  13 Inconsistent score: 0.295(23/78) 
Model  14 Inconsistent score: 0.269(21/78) 
Model  15 Inconsistent score: 0.256(20/78) 
Model  16 Inconsistent score: 0.244(19/78) 
Model  17 Inconsistent score: 0.295(23/78) 
Model  18 Inconsistent score: 0.256(20/78) 
Model ave  Missing interactions: 0.442 (38/86)
              weighted: 0.0801 (6.1e+03/7.62e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0371 (688/1.86e+04)
Model   1  Missing interactions: 0.495 (46/93)
              weighted: 0.162 (1.72e+04/1.06e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model   2  Missing interactions: 0.452 (38/84)
              weighted: 0.102 (8.99e+03/8.82e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model   3  Missing interactions: 0.424 (36/85)
              weighted: 0.0844 (8.33e+03/9.87e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model   4  Missing interactions: 0.466 (41/88)
              weighted: 0.11 (9.8e+03/8.94e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model   5  Missing interactions: 0.452 (42/93)
              weighted: 0.0899 (1.15e+04/1.27e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model   6  Missing interactions: 0.43 (37/86)
              weighted: 0.103 (1.04e+04/1e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model   7  Missing interactions: 0.425 (37/87)
              weighted: 0.0976 (1.19e+04/1.22e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model   8  Missing interactions: 0.461 (41/89)
              weighted: 0.127 (1.24e+04/9.77e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model   9  Missing interactions: 0.473 (43/91)
              weighted: 0.112 (1.2e+04/1.07e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model  10  Missing interactions: 0.42 (34/81)
              weighted: 0.0961 (8.28e+03/8.62e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model  11  Missing interactions: 0.467 (42/90)
              weighted: 0.119 (1.11e+04/9.37e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model  12  Missing interactions: 0.432 (35/81)
              weighted: 0.118 (1.07e+04/9.04e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model  13  Missing interactions: 0.448 (39/87)
              weighted: 0.0927 (8.7e+03/9.38e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model  14  Missing interactions: 0.478 (44/92)
              weighted: 0.116 (1.18e+04/1.02e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model  15  Missing interactions: 0.511 (48/94)
              weighted: 0.0769 (1.02e+04/1.33e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model  16  Missing interactions: 0.433 (39/90)
              weighted: 0.117 (1.17e+04/9.96e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model  17  Missing interactions: 0.46 (40/87)
              weighted: 0.0831 (9.02e+03/1.09e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model  18  Missing interactions: 0.443 (39/88)
              weighted: 0.086 (8.25e+03/9.6e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)

Model ave
 Recall: 0.731
 Precision: 
       all: 0.558  allw: 0.92
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.633
 F-measure:(Recall,PrecisionW) 0.815

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

Model 1
 Recall: 0.731
 Precision: 
       all: 0.505  allw: 0.838
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.598
 F-measure:(Recall,PrecisionW) 0.781

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

Model 2
 Recall: 0.718
 Precision: 
       all: 0.548  allw: 0.898
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.621
 F-measure:(Recall,PrecisionW) 0.798

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

Model 3
 Recall: 0.744
 Precision: 
       all: 0.576  allw: 0.916
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.649
 F-measure:(Recall,PrecisionW) 0.821

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

Model 4
 Recall: 0.718
 Precision: 
       all: 0.534  allw: 0.89
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.613
 F-measure:(Recall,PrecisionW) 0.795

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

Model 5
 Recall: 0.769
 Precision: 
       all: 0.548  allw: 0.91
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.64
 F-measure:(Recall,PrecisionW) 0.834

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

Model 6
 Recall: 0.718
 Precision: 
       all: 0.57  allw: 0.897
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.635
 F-measure:(Recall,PrecisionW) 0.797

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

Model 7
 Recall: 0.731
 Precision: 
       all: 0.575  allw: 0.902
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.643
 F-measure:(Recall,PrecisionW) 0.808

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

Model 8
 Recall: 0.705
 Precision: 
       all: 0.539  allw: 0.873
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.611
 F-measure:(Recall,PrecisionW) 0.78

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

Model 9
 Recall: 0.731
 Precision: 
       all: 0.527  allw: 0.888
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.613
 F-measure:(Recall,PrecisionW) 0.802

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

Model 10
 Recall: 0.705
 Precision: 
       all: 0.58  allw: 0.904
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.637
 F-measure:(Recall,PrecisionW) 0.792

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

Model 11
 Recall: 0.756
 Precision: 
       all: 0.533  allw: 0.881
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.626
 F-measure:(Recall,PrecisionW) 0.814

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

Model 12
 Recall: 0.718
 Precision: 
       all: 0.568  allw: 0.882
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.634
 F-measure:(Recall,PrecisionW) 0.792

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

Model 13
 Recall: 0.705
 Precision: 
       all: 0.552  allw: 0.907
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.619
 F-measure:(Recall,PrecisionW) 0.794

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

Model 14
 Recall: 0.731
 Precision: 
       all: 0.522  allw: 0.884
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.609
 F-measure:(Recall,PrecisionW) 0.8

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

Model 15
 Recall: 0.744
 Precision: 
       all: 0.489  allw: 0.923
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.59
 F-measure:(Recall,PrecisionW) 0.824

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

Model 16
 Recall: 0.756
 Precision: 
       all: 0.567  allw: 0.883
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.648
 F-measure:(Recall,PrecisionW) 0.815

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

Model 17
 Recall: 0.705
 Precision: 
       all: 0.54  allw: 0.917
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.612
 F-measure:(Recall,PrecisionW) 0.797

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

Model 18
 Recall: 0.744
 Precision: 
       all: 0.557  allw: 0.914
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.637
 F-measure:(Recall,PrecisionW) 0.82

 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: 0.866466
 Final Precision-score for input query structures: 0.913449

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.876697

 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:      0.889
 F-score of ideal true structures:       0.934
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.818548

Model 1

 Final Recall-score for input query structures: 0.86747
 Final Precision-score for input query structures: 0.894845

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.869941

 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:      0.881
 F-score of ideal true structures:       0.93
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.79918

Model 2

 Final Recall-score for input query structures: 0.869478
 Final Precision-score for input query structures: 0.91015

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.879093

 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:      0.889
 F-score of ideal true structures:       0.936
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.812

Model 3

 Final Recall-score for input query structures: 0.865462
 Final Precision-score for input query structures: 0.913437

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.882245

 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:      0.889
 F-score of ideal true structures:       0.937
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.808765

Model 4

 Final Recall-score for input query structures: 0.864458
 Final Precision-score for input query structures: 0.898726

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.878886

 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:      0.881
 F-score of ideal true structures:       0.936
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.78

Model 5

 Final Recall-score for input query structures: 0.873494
 Final Precision-score for input query structures: 0.895938

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.884647

 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:      0.885
 F-score of ideal true structures:       0.939
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.786561

Model 6

 Final Recall-score for input query structures: 0.866466
 Final Precision-score for input query structures: 0.913791

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.881677

 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:      0.889
 F-score of ideal true structures:       0.937
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.808765

Model 7

 Final Recall-score for input query structures: 0.874498
 Final Precision-score for input query structures: 0.912443

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.878611

 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:      0.893
 F-score of ideal true structures:       0.935
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.831325

Model 8

 Final Recall-score for input query structures: 0.875502
 Final Precision-score for input query structures: 0.905036

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.881247

 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:      0.89
 F-score of ideal true structures:       0.937
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.812749

Model 9

 Final Recall-score for input query structures: 0.863454
 Final Precision-score for input query structures: 0.911219

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.881463

 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:      0.887
 F-score of ideal true structures:       0.937
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.800797

Model 10

 Final Recall-score for input query structures: 0.865462
 Final Precision-score for input query structures: 0.900737

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.883445

 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:      0.883
 F-score of ideal true structures:       0.938
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.781746

Model 11

 Final Recall-score for input query structures: 0.870482
 Final Precision-score for input query structures: 0.902633

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.881088

 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:      0.886
 F-score of ideal true structures:       0.937
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.796813

Model 12

 Final Recall-score for input query structures: 0.861446
 Final Precision-score for input query structures: 0.908343

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.883219

 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:      0.884
 F-score of ideal true structures:       0.938
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.785714

Model 13

 Final Recall-score for input query structures: 0.861446
 Final Precision-score for input query structures: 0.90499

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.876041

 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:      0.883
 F-score of ideal true structures:       0.934
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.794355

Model 14

 Final Recall-score for input query structures: 0.864458
 Final Precision-score for input query structures: 0.907213

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.868603

 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:      0.885
 F-score of ideal true structures:       0.93
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.815574

Model 15

 Final Recall-score for input query structures: 0.861446
 Final Precision-score for input query structures: 0.910556

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.880159

 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:      0.885
 F-score of ideal true structures:       0.936
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.796

Model 16

 Final Recall-score for input query structures: 0.869478
 Final Precision-score for input query structures: 0.903959

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.867171

 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:      0.886
 F-score of ideal true structures:       0.929
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.823045

Model 17

 Final Recall-score for input query structures: 0.866466
 Final Precision-score for input query structures: 0.905456

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.881565

 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:      0.886
 F-score of ideal true structures:       0.937
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.796813

Model 18

 Final Recall-score for input query structures: 0.871486
 Final Precision-score for input query structures: 0.902817

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.869072

 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:      0.887
 F-score of ideal true structures:       0.93
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.823771

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

NOESY_Assign:
      User CPU Time:       15.6 sec.
      Syst CPU Time:       0.18 sec.
Other Processes:
      User CPU Time:       0.36 sec.
      Syst CPU Time:       0.03 sec.

Total Elapsed Time:       16.2 sec. 
