# created by  ASDP Version 1.0 Copyright(C) 2010
# Fri May 10 21:47:24 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/SOR77_R3_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q SOR77_R3_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: 0.129(118/918) 
Model   1 Inconsistent score: 0.121(111/918) 
Model   2 Inconsistent score: 0.121(111/918) 
Model   3 Inconsistent score: 0.115(106/918) 
Model   4 Inconsistent score: 0.121(111/918) 
Model   5 Inconsistent score: 0.125(115/918) 
Model   6 Inconsistent score: 0.117(107/918) 
Model   7 Inconsistent score: 0.126(116/918) 
Model   8 Inconsistent score: 0.13(119/918) 
Model   9 Inconsistent score: 0.123(113/918) 
Model  10 Inconsistent score: 0.126(116/918) 
Model  11 Inconsistent score: 0.125(115/918) 
Model  12 Inconsistent score: 0.127(117/918) 
Model  13 Inconsistent score: 0.115(106/918) 
Model  14 Inconsistent score: 0.121(111/918) 
Model  15 Inconsistent score: 0.12(110/918) 
Model  16 Inconsistent score: 0.127(117/918) 
Model  17 Inconsistent score: 0.109(100/918) 
Model  18 Inconsistent score: 0.122(112/918) 
Model  19 Inconsistent score: 0.129(118/918) 
Model  20 Inconsistent score: 0.136(125/918) 
Model ave  Missing interactions: 0.243 (272/1120)
              weighted: 0.0847 (2.34e+05/2.76e+06)
                    <3: 0.0902 (11/122)
                   <3w: 0.125 (1.02e+05/8.19e+05)
Model   1  Missing interactions: 0.259 (308/1191)
              weighted: 0.0885 (2.8e+05/3.16e+06)
                    <3: 0.0866 (11/127)
                   <3w: 0.117 (9.99e+04/8.52e+05)
Model   2  Missing interactions: 0.271 (330/1219)
              weighted: 0.0967 (3.06e+05/3.17e+06)
                    <3: 0.0866 (11/127)
                   <3w: 0.121 (1e+05/8.29e+05)
Model   3  Missing interactions: 0.257 (304/1184)
              weighted: 0.0862 (2.7e+05/3.13e+06)
                    <3: 0.0859 (11/128)
                   <3w: 0.119 (9.83e+04/8.25e+05)
Model   4  Missing interactions: 0.271 (323/1190)
              weighted: 0.107 (3.52e+05/3.28e+06)
                    <3: 0.0859 (11/128)
                   <3w: 0.116 (9.96e+04/8.6e+05)
Model   5  Missing interactions: 0.263 (317/1206)
              weighted: 0.101 (3.13e+05/3.12e+06)
                    <3: 0.084 (11/131)
                   <3w: 0.12 (9.82e+04/8.2e+05)
Model   6  Missing interactions: 0.268 (324/1207)
              weighted: 0.0987 (3.12e+05/3.16e+06)
                    <3: 0.0873 (11/126)
                   <3w: 0.121 (1e+05/8.29e+05)
Model   7  Missing interactions: 0.261 (311/1192)
              weighted: 0.097 (3.08e+05/3.18e+06)
                    <3: 0.0853 (11/129)
                   <3w: 0.118 (9.86e+04/8.34e+05)
Model   8  Missing interactions: 0.262 (310/1181)
              weighted: 0.0945 (2.96e+05/3.14e+06)
                    <3: 0.0846 (11/130)
                   <3w: 0.125 (9.95e+04/7.96e+05)
Model   9  Missing interactions: 0.276 (337/1219)
              weighted: 0.109 (3.48e+05/3.2e+06)
                    <3: 0.0853 (11/129)
                   <3w: 0.118 (9.89e+04/8.41e+05)
Model  10  Missing interactions: 0.26 (308/1183)
              weighted: 0.0892 (2.88e+05/3.23e+06)
                    <3: 0.0866 (11/127)
                   <3w: 0.121 (1e+05/8.24e+05)
Model  11  Missing interactions: 0.265 (315/1187)
              weighted: 0.0997 (3.07e+05/3.08e+06)
                    <3: 0.0809 (11/136)
                   <3w: 0.12 (9.9e+04/8.27e+05)
Model  12  Missing interactions: 0.273 (326/1195)
              weighted: 0.0966 (3.1e+05/3.2e+06)
                    <3: 0.084 (11/131)
                   <3w: 0.117 (9.82e+04/8.41e+05)
Model  13  Missing interactions: 0.257 (306/1189)
              weighted: 0.0902 (2.8e+05/3.1e+06)
                    <3: 0.0853 (11/129)
                   <3w: 0.122 (1e+05/8.23e+05)
Model  14  Missing interactions: 0.269 (328/1218)
              weighted: 0.105 (3.37e+05/3.21e+06)
                    <3: 0.0859 (11/128)
                   <3w: 0.13 (1.11e+05/8.5e+05)
Model  15  Missing interactions: 0.271 (325/1200)
              weighted: 0.0941 (2.99e+05/3.18e+06)
                    <3: 0.0846 (11/130)
                   <3w: 0.134 (1.12e+05/8.31e+05)
Model  16  Missing interactions: 0.268 (322/1203)
              weighted: 0.0963 (3.01e+05/3.12e+06)
                    <3: 0.088 (11/125)
                   <3w: 0.133 (1.09e+05/8.22e+05)
Model  17  Missing interactions: 0.273 (337/1236)
              weighted: 0.104 (3.23e+05/3.11e+06)
                    <3: 0.0846 (11/130)
                   <3w: 0.122 (9.89e+04/8.13e+05)
Model  18  Missing interactions: 0.271 (324/1194)
              weighted: 0.0983 (3.1e+05/3.16e+06)
                    <3: 0.0866 (11/127)
                   <3w: 0.134 (1.1e+05/8.21e+05)
Model  19  Missing interactions: 0.273 (329/1206)
              weighted: 0.0947 (2.98e+05/3.14e+06)
                    <3: 0.0859 (11/128)
                   <3w: 0.137 (1.12e+05/8.12e+05)
Model  20  Missing interactions: 0.271 (325/1198)
              weighted: 0.0981 (3.13e+05/3.19e+06)
                    <3: 0.088 (11/125)
                   <3w: 0.121 (9.87e+04/8.15e+05)

Model ave
 Recall: 0.871
 Precision: 
       all: 0.757  allw: 0.915
        <3: 0.91  <3w: 0.875

 F-measure:(Recall,Precision)  0.81
 F-measure:(Recall,PrecisionW) 0.893

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

Model 1
 Recall: 0.879
 Precision: 
       all: 0.741  allw: 0.912
        <3: 0.913  <3w: 0.883

 F-measure:(Recall,Precision)  0.804
 F-measure:(Recall,PrecisionW) 0.895

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.938

Model 2
 Recall: 0.879
 Precision: 
       all: 0.729  allw: 0.903
        <3: 0.913  <3w: 0.879

 F-measure:(Recall,Precision)  0.797
 F-measure:(Recall,PrecisionW) 0.891

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

Model 3
 Recall: 0.885
 Precision: 
       all: 0.743  allw: 0.914
        <3: 0.914  <3w: 0.881

 F-measure:(Recall,Precision)  0.808
 F-measure:(Recall,PrecisionW) 0.899

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

Model 4
 Recall: 0.879
 Precision: 
       all: 0.729  allw: 0.893
        <3: 0.914  <3w: 0.884

 F-measure:(Recall,Precision)  0.797
 F-measure:(Recall,PrecisionW) 0.886

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.939

Model 5
 Recall: 0.875
 Precision: 
       all: 0.737  allw: 0.899
        <3: 0.916  <3w: 0.88

 F-measure:(Recall,Precision)  0.8
 F-measure:(Recall,PrecisionW) 0.887

 F-measure:(0,PrecisionIdeal)  0.956
 F-measure:(0,PrecisionIdealW) 0.936

Model 6
 Recall: 0.883
 Precision: 
       all: 0.732  allw: 0.901
        <3: 0.913  <3w: 0.879

 F-measure:(Recall,Precision)  0.8
 F-measure:(Recall,PrecisionW) 0.892

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

Model 7
 Recall: 0.874
 Precision: 
       all: 0.739  allw: 0.903
        <3: 0.915  <3w: 0.882

 F-measure:(Recall,Precision)  0.801
 F-measure:(Recall,PrecisionW) 0.888

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

Model 8
 Recall: 0.87
 Precision: 
       all: 0.738  allw: 0.906
        <3: 0.915  <3w: 0.875

 F-measure:(Recall,Precision)  0.798
 F-measure:(Recall,PrecisionW) 0.888

 F-measure:(0,PrecisionIdeal)  0.956
 F-measure:(0,PrecisionIdealW) 0.933

Model 9
 Recall: 0.877
 Precision: 
       all: 0.724  allw: 0.891
        <3: 0.915  <3w: 0.882

 F-measure:(Recall,Precision)  0.793
 F-measure:(Recall,PrecisionW) 0.884

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.938

Model 10
 Recall: 0.874
 Precision: 
       all: 0.74  allw: 0.911
        <3: 0.913  <3w: 0.879

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

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

Model 11
 Recall: 0.875
 Precision: 
       all: 0.735  allw: 0.9
        <3: 0.919  <3w: 0.88

 F-measure:(Recall,Precision)  0.799
 F-measure:(Recall,PrecisionW) 0.887

 F-measure:(0,PrecisionIdeal)  0.958
 F-measure:(0,PrecisionIdealW) 0.936

Model 12
 Recall: 0.873
 Precision: 
       all: 0.727  allw: 0.903
        <3: 0.916  <3w: 0.883

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

 F-measure:(0,PrecisionIdeal)  0.956
 F-measure:(0,PrecisionIdealW) 0.938

Model 13
 Recall: 0.885
 Precision: 
       all: 0.743  allw: 0.91
        <3: 0.915  <3w: 0.878

 F-measure:(Recall,Precision)  0.807
 F-measure:(Recall,PrecisionW) 0.897

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

Model 14
 Recall: 0.879
 Precision: 
       all: 0.731  allw: 0.895
        <3: 0.914  <3w: 0.87

 F-measure:(Recall,Precision)  0.798
 F-measure:(Recall,PrecisionW) 0.887

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.93

Model 15
 Recall: 0.88
 Precision: 
       all: 0.729  allw: 0.906
        <3: 0.915  <3w: 0.866

 F-measure:(Recall,Precision)  0.798
 F-measure:(Recall,PrecisionW) 0.893

 F-measure:(0,PrecisionIdeal)  0.956
 F-measure:(0,PrecisionIdealW) 0.928

Model 16
 Recall: 0.873
 Precision: 
       all: 0.732  allw: 0.904
        <3: 0.912  <3w: 0.867

 F-measure:(Recall,Precision)  0.796
 F-measure:(Recall,PrecisionW) 0.888

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

Model 17
 Recall: 0.891
 Precision: 
       all: 0.727  allw: 0.896
        <3: 0.915  <3w: 0.878

 F-measure:(Recall,Precision)  0.801
 F-measure:(Recall,PrecisionW) 0.894

 F-measure:(0,PrecisionIdeal)  0.956
 F-measure:(0,PrecisionIdealW) 0.935

Model 18
 Recall: 0.878
 Precision: 
       all: 0.729  allw: 0.902
        <3: 0.913  <3w: 0.866

 F-measure:(Recall,Precision)  0.796
 F-measure:(Recall,PrecisionW) 0.89

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.928

Model 19
 Recall: 0.871
 Precision: 
       all: 0.727  allw: 0.905
        <3: 0.914  <3w: 0.863

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

 F-measure:(0,PrecisionIdeal)  0.955
 F-measure:(0,PrecisionIdealW) 0.926

Model 20
 Recall: 0.864
 Precision: 
       all: 0.729  allw: 0.902
        <3: 0.912  <3w: 0.879

 F-measure:(Recall,Precision)  0.791
 F-measure:(Recall,PrecisionW) 0.882

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

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: 0.423(33/78) 
Model   1 Inconsistent score: 0.282(22/78) 
Model   2 Inconsistent score: 0.359(28/78) 
Model   3 Inconsistent score: 0.333(26/78) 
Model   4 Inconsistent score: 0.41(32/78) 
Model   5 Inconsistent score: 0.436(34/78) 
Model   6 Inconsistent score: 0.372(29/78) 
Model   7 Inconsistent score: 0.385(30/78) 
Model   8 Inconsistent score: 0.321(25/78) 
Model   9 Inconsistent score: 0.321(25/78) 
Model  10 Inconsistent score: 0.282(22/78) 
Model  11 Inconsistent score: 0.333(26/78) 
Model  12 Inconsistent score: 0.41(32/78) 
Model  13 Inconsistent score: 0.436(34/78) 
Model  14 Inconsistent score: 0.282(22/78) 
Model  15 Inconsistent score: 0.282(22/78) 
Model  16 Inconsistent score: 0.423(33/78) 
Model  17 Inconsistent score: 0.282(22/78) 
Model  18 Inconsistent score: 0.308(24/78) 
Model  19 Inconsistent score: 0.295(23/78) 
Model  20 Inconsistent score: 0.282(22/78) 
Model ave  Missing interactions: 0.389 (21/54)
              weighted: 0.0798 (4.16e+03/5.22e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0368 (684/1.86e+04)
Model   1  Missing interactions: 0.506 (43/85)
              weighted: 0.122 (1.56e+04/1.29e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model   2  Missing interactions: 0.521 (50/96)
              weighted: 0.15 (2.03e+04/1.35e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model   3  Missing interactions: 0.538 (50/93)
              weighted: 0.124 (1.3e+04/1.05e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0363 (684/1.88e+04)
Model   4  Missing interactions: 0.558 (58/104)
              weighted: 0.38 (6.44e+04/1.69e+05)
                    <3: 0.571 (4/7)
                   <3w: 0.0203 (688/3.4e+04)
Model   5  Missing interactions: 0.58 (47/81)
              weighted: 0.284 (3.05e+04/1.07e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0363 (684/1.88e+04)
Model   6  Missing interactions: 0.537 (44/82)
              weighted: 0.101 (1.13e+04/1.12e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0363 (684/1.88e+04)
Model   7  Missing interactions: 0.563 (49/87)
              weighted: 0.201 (2.38e+04/1.18e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model   8  Missing interactions: 0.494 (39/79)
              weighted: 0.0973 (9.18e+03/9.44e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model   9  Missing interactions: 0.481 (38/79)
              weighted: 0.0874 (9.66e+03/1.11e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model  10  Missing interactions: 0.506 (44/87)
              weighted: 0.165 (1.54e+04/9.29e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model  11  Missing interactions: 0.544 (49/90)
              weighted: 0.221 (2.12e+04/9.6e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model  12  Missing interactions: 0.5 (38/76)
              weighted: 0.284 (3.35e+04/1.18e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model  13  Missing interactions: 0.536 (45/84)
              weighted: 0.245 (2.43e+04/9.93e+04)
                    <3: 0.667 (4/6)
                   <3w: 0.0373 (684/1.83e+04)
Model  14  Missing interactions: 0.515 (51/99)
              weighted: 0.12 (1.45e+04/1.21e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model  15  Missing interactions: 0.574 (58/101)
              weighted: 0.193 (2.32e+04/1.2e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)
Model  16  Missing interactions: 0.602 (53/88)
              weighted: 0.271 (3.43e+04/1.27e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model  17  Missing interactions: 0.526 (50/95)
              weighted: 0.146 (1.46e+04/1e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0373 (684/1.83e+04)
Model  18  Missing interactions: 0.522 (47/90)
              weighted: 0.15 (1.63e+04/1.09e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model  19  Missing interactions: 0.51 (49/96)
              weighted: 0.123 (1.28e+04/1.04e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0376 (688/1.83e+04)
Model  20  Missing interactions: 0.524 (54/103)
              weighted: 0.205 (2.75e+04/1.34e+05)
                    <3: 0.667 (4/6)
                   <3w: 0.0366 (688/1.88e+04)

Model ave
 Recall: 0.577
 Precision: 
       all: 0.611  allw: 0.92
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.594
 F-measure:(Recall,PrecisionW) 0.709

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

Model 1
 Recall: 0.718
 Precision: 
       all: 0.494  allw: 0.878
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.585
 F-measure:(Recall,PrecisionW) 0.79

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

Model 2
 Recall: 0.641
 Precision: 
       all: 0.479  allw: 0.85
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.548
 F-measure:(Recall,PrecisionW) 0.731

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

Model 3
 Recall: 0.667
 Precision: 
       all: 0.462  allw: 0.876
        <3: 0.333  <3w: 0.964

 F-measure:(Recall,Precision)  0.546
 F-measure:(Recall,PrecisionW) 0.757

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

Model 4
 Recall: 0.59
 Precision: 
       all: 0.442  allw: 0.62
        <3: 0.429  <3w: 0.98

 F-measure:(Recall,Precision)  0.505
 F-measure:(Recall,PrecisionW) 0.604

 F-measure:(0,PrecisionIdeal)  0.6
 F-measure:(0,PrecisionIdealW) 0.99

Model 5
 Recall: 0.564
 Precision: 
       all: 0.42  allw: 0.716
        <3: 0.333  <3w: 0.964

 F-measure:(Recall,Precision)  0.481
 F-measure:(Recall,PrecisionW) 0.631

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

Model 6
 Recall: 0.628
 Precision: 
       all: 0.463  allw: 0.899
        <3: 0.333  <3w: 0.964

 F-measure:(Recall,Precision)  0.533
 F-measure:(Recall,PrecisionW) 0.74

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

Model 7
 Recall: 0.615
 Precision: 
       all: 0.437  allw: 0.799
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.511
 F-measure:(Recall,PrecisionW) 0.695

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

Model 8
 Recall: 0.679
 Precision: 
       all: 0.506  allw: 0.903
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.58
 F-measure:(Recall,PrecisionW) 0.775

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

Model 9
 Recall: 0.679
 Precision: 
       all: 0.519  allw: 0.913
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.588
 F-measure:(Recall,PrecisionW) 0.779

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

Model 10
 Recall: 0.718
 Precision: 
       all: 0.494  allw: 0.835
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.585
 F-measure:(Recall,PrecisionW) 0.772

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

Model 11
 Recall: 0.667
 Precision: 
       all: 0.456  allw: 0.779
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.541
 F-measure:(Recall,PrecisionW) 0.718

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

Model 12
 Recall: 0.59
 Precision: 
       all: 0.5  allw: 0.716
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.541
 F-measure:(Recall,PrecisionW) 0.647

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

Model 13
 Recall: 0.564
 Precision: 
       all: 0.464  allw: 0.755
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.509
 F-measure:(Recall,PrecisionW) 0.646

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

Model 14
 Recall: 0.718
 Precision: 
       all: 0.485  allw: 0.88
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.579
 F-measure:(Recall,PrecisionW) 0.791

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

Model 15
 Recall: 0.718
 Precision: 
       all: 0.426  allw: 0.807
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.535
 F-measure:(Recall,PrecisionW) 0.76

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

Model 16
 Recall: 0.577
 Precision: 
       all: 0.398  allw: 0.729
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.471
 F-measure:(Recall,PrecisionW) 0.644

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

Model 17
 Recall: 0.718
 Precision: 
       all: 0.474  allw: 0.854
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.571
 F-measure:(Recall,PrecisionW) 0.78

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

Model 18
 Recall: 0.692
 Precision: 
       all: 0.478  allw: 0.85
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.565
 F-measure:(Recall,PrecisionW) 0.763

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

Model 19
 Recall: 0.705
 Precision: 
       all: 0.49  allw: 0.877
        <3: 0.333  <3w: 0.962

 F-measure:(Recall,Precision)  0.578
 F-measure:(Recall,PrecisionW) 0.782

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

Model 20
 Recall: 0.718
 Precision: 
       all: 0.476  allw: 0.795
        <3: 0.333  <3w: 0.963

 F-measure:(Recall,Precision)  0.572
 F-measure:(Recall,PrecisionW) 0.754

 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: 0.848394
 Final Precision-score for input query structures: 0.915349

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.877386

 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:       0.935
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.783132

Model 1

 Final Recall-score for input query structures: 0.866466
 Final Precision-score for input query structures: 0.91021

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.884503

 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:      0.888
 F-score of ideal true structures:       0.939
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.798419

Model 2

 Final Recall-score for input query structures: 0.860442
 Final Precision-score for input query structures: 0.901125

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.880801

 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:       0.937
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.772908

Model 3

 Final Recall-score for input query structures: 0.86747
 Final Precision-score for input query structures: 0.912599

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.882785

 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:       0.938
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.805555

Model 4

 Final Recall-score for input query structures: 0.856426
 Final Precision-score for input query structures: 0.879115

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.887796

 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:       0.941
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.713725

Model 5

 Final Recall-score for input query structures: 0.850402
 Final Precision-score for input query structures: 0.893357

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.882088

 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 6

 Final Recall-score for input query structures: 0.863454
 Final Precision-score for input query structures: 0.901223

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.880649

 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:      0.882
 F-score of ideal true structures:       0.937
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.780877

Model 7

 Final Recall-score for input query structures: 0.853414
 Final Precision-score for input query structures: 0.899303

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.883563

 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:      0.876
 F-score of ideal true structures:       0.938
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.753968

Model 8

 Final Recall-score for input query structures: 0.855422
 Final Precision-score for input query structures: 0.90545

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.876958

 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:       0.934
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.782258

Model 9

 Final Recall-score for input query structures: 0.861446
 Final Precision-score for input query structures: 0.892029

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.8842

 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:      0.876
 F-score of ideal true structures:       0.939
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.750988

Model 10

 Final Recall-score for input query structures: 0.861446
 Final Precision-score for input query structures: 0.908639

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.880566

 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:       0.936
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.792

Model 11

 Final Recall-score for input query structures: 0.858434
 Final Precision-score for input query structures: 0.896673

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.882015

 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:      0.877
 F-score of ideal true structures:       0.937
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.760956

Model 12

 Final Recall-score for input query structures: 0.850402
 Final Precision-score for input query structures: 0.896702

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.884953

 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:      0.873
 F-score of ideal true structures:       0.939
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.73913

Model 13

 Final Recall-score for input query structures: 0.859438
 Final Precision-score for input query structures: 0.905043

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.879947

 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:      0.882
 F-score of ideal true structures:       0.936
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.784

Model 14

 Final Recall-score for input query structures: 0.866466
 Final Precision-score for input query structures: 0.894325

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.871648

 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:       0.931
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.791837

Model 15

 Final Recall-score for input query structures: 0.86747
 Final Precision-score for input query structures: 0.902262

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.8679

 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:       0.929
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.81893

Model 16

 Final Recall-score for input query structures: 0.849398
 Final Precision-score for input query structures: 0.896876

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.8694

 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:       0.93
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.762295

Model 17

 Final Recall-score for input query structures: 0.87751
 Final Precision-score for input query structures: 0.894898

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.880208

 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:       0.936
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.8

Model 18

 Final Recall-score for input query structures: 0.863454
 Final Precision-score for input query structures: 0.899981

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.867869

 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:       0.929
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.802469

Model 19

 Final Recall-score for input query structures: 0.858434
 Final Precision-score for input query structures: 0.90437

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.864917

 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:       0.928
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.805785

Model 20

 Final Recall-score for input query structures: 0.85241
 Final Precision-score for input query structures: 0.897621

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.880728

 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:      0.874
 F-score of ideal true structures:       0.937
 F-score of freely-rotating-chain model: 0.686

 DP-Score: 0.749004

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

NOESY_Assign:
      User CPU Time:       18.3 sec.
      Syst CPU Time:       0.23 sec.
Other Processes:
      User CPU Time:        0.4 sec.
      Syst CPU Time:       0.04 sec.

Total Elapsed Time:       18.9 sec.