# created by  ASDP Version 1.0 Copyright(C) 2010
# Fri May 10 05:15:58 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/HR1958_NMR_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q HR1958_NMR_em_bcr3.pdb.iupac 


# Summary for n.peaks
Total simulated peaks: 187 Number of peaks NOT matched in the Peak List: 34
M score = 0.18

Average shift in HX: 0.0045 Average ab-shift in HX: 0.0083(Assignment used: 121)
Average shift in X: -0.065 Average ab-shift in X: 0.082(Assignment used: 118)
Average shift in HX2: -0.00033 Average ab-shift in HX2: 0.0086(Assignment used: 137)

#For peaklist n.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.11(181/1642) 
Model   1 Inconsistent score: 0.118(193/1642) 
Model   2 Inconsistent score: 0.128(210/1642) 
Model   3 Inconsistent score: 0.126(207/1642) 
Model   4 Inconsistent score: 0.121(198/1642) 
Model   5 Inconsistent score: 0.121(199/1642) 
Model   6 Inconsistent score: 0.119(196/1642) 
Model   7 Inconsistent score: 0.125(206/1642) 
Model   8 Inconsistent score: 0.124(203/1642) 
Model   9 Inconsistent score: 0.127(208/1642) 
Model  10 Inconsistent score: 0.122(201/1642) 
Model  11 Inconsistent score: 0.127(208/1642) 
Model  12 Inconsistent score: 0.121(198/1642) 
Model  13 Inconsistent score: 0.126(207/1642) 
Model  14 Inconsistent score: 0.123(202/1642) 
Model  15 Inconsistent score: 0.125(206/1642) 
Model  16 Inconsistent score: 0.124(203/1642) 
Model  17 Inconsistent score: 0.123(202/1642) 
Model  18 Inconsistent score: 0.122(200/1642) 
Model  19 Inconsistent score: 0.122(201/1642) 
Model  20 Inconsistent score: 0.121(199/1642) 
Model ave  Missing interactions: 0.345 (749/2173)
              weighted: 0.0927 (4.67e+05/5.03e+06)
                    <3: 0.13 (28/215)
                   <3w: 0.102 (9.92e+04/9.72e+05)
Model   1  Missing interactions: 0.382 (890/2328)
              weighted: 0.113 (7.18e+05/6.35e+06)
                    <3: 0.129 (28/217)
                   <3w: 0.11 (1.14e+05/1.03e+06)
Model   2  Missing interactions: 0.372 (827/2224)
              weighted: 0.133 (8.46e+05/6.37e+06)
                    <3: 0.131 (28/214)
                   <3w: 0.0908 (9.42e+04/1.04e+06)
Model   3  Missing interactions: 0.379 (861/2273)
              weighted: 0.125 (7.87e+05/6.29e+06)
                    <3: 0.132 (28/212)
                   <3w: 0.0999 (1.03e+05/1.04e+06)
Model   4  Missing interactions: 0.37 (830/2242)
              weighted: 0.107 (6.68e+05/6.25e+06)
                    <3: 0.132 (28/212)
                   <3w: 0.0944 (1.01e+05/1.07e+06)
Model   5  Missing interactions: 0.374 (854/2286)
              weighted: 0.117 (7.41e+05/6.33e+06)
                    <3: 0.128 (28/218)
                   <3w: 0.109 (1.14e+05/1.04e+06)
Model   6  Missing interactions: 0.382 (881/2305)
              weighted: 0.111 (6.89e+05/6.21e+06)
                    <3: 0.132 (28/212)
                   <3w: 0.0979 (9.99e+04/1.02e+06)
Model   7  Missing interactions: 0.364 (818/2246)
              weighted: 0.118 (7.44e+05/6.33e+06)
                    <3: 0.13 (28/216)
                   <3w: 0.102 (1.06e+05/1.03e+06)
Model   8  Missing interactions: 0.37 (837/2260)
              weighted: 0.116 (7.27e+05/6.29e+06)
                    <3: 0.131 (28/213)
                   <3w: 0.0934 (1e+05/1.07e+06)
Model   9  Missing interactions: 0.378 (858/2269)
              weighted: 0.125 (7.82e+05/6.24e+06)
                    <3: 0.131 (28/214)
                   <3w: 0.0839 (8.91e+04/1.06e+06)
Model  10  Missing interactions: 0.369 (836/2265)
              weighted: 0.127 (8.05e+05/6.34e+06)
                    <3: 0.128 (28/218)
                   <3w: 0.0928 (9.41e+04/1.01e+06)
Model  11  Missing interactions: 0.376 (859/2285)
              weighted: 0.132 (8.53e+05/6.46e+06)
                    <3: 0.129 (28/217)
                   <3w: 0.0972 (1.01e+05/1.04e+06)
Model  12  Missing interactions: 0.372 (833/2242)
              weighted: 0.11 (6.8e+05/6.16e+06)
                    <3: 0.13 (28/216)
                   <3w: 0.101 (1.06e+05/1.05e+06)
Model  13  Missing interactions: 0.371 (842/2269)
              weighted: 0.099 (6.11e+05/6.18e+06)
                    <3: 0.131 (28/213)
                   <3w: 0.0873 (9.16e+04/1.05e+06)
Model  14  Missing interactions: 0.373 (853/2286)
              weighted: 0.112 (7.13e+05/6.39e+06)
                    <3: 0.131 (28/213)
                   <3w: 0.091 (9.1e+04/1e+06)
Model  15  Missing interactions: 0.362 (803/2219)
              weighted: 0.115 (7.23e+05/6.26e+06)
                    <3: 0.132 (28/212)
                   <3w: 0.0927 (9.41e+04/1.02e+06)
Model  16  Missing interactions: 0.37 (834/2257)
              weighted: 0.106 (6.57e+05/6.21e+06)
                    <3: 0.132 (28/212)
                   <3w: 0.102 (1.07e+05/1.05e+06)
Model  17  Missing interactions: 0.371 (834/2251)
              weighted: 0.128 (8.08e+05/6.32e+06)
                    <3: 0.133 (28/211)
                   <3w: 0.0871 (8.86e+04/1.02e+06)
Model  18  Missing interactions: 0.374 (860/2298)
              weighted: 0.119 (7.53e+05/6.34e+06)
                    <3: 0.13 (28/215)
                   <3w: 0.0876 (8.94e+04/1.02e+06)
Model  19  Missing interactions: 0.372 (833/2240)
              weighted: 0.104 (6.5e+05/6.24e+06)
                    <3: 0.131 (28/213)
                   <3w: 0.0891 (8.94e+04/1e+06)
Model  20  Missing interactions: 0.366 (823/2249)
              weighted: 0.121 (7.67e+05/6.34e+06)
                    <3: 0.13 (28/215)
                   <3w: 0.0914 (9.22e+04/1.01e+06)

Model ave
 Recall: 0.89
 Precision: 
       all: 0.655  allw: 0.907
        <3: 0.87  <3w: 0.898

 F-measure:(Recall,Precision)  0.755
 F-measure:(Recall,PrecisionW) 0.898

 F-measure:(0,PrecisionIdeal)  0.93
 F-measure:(0,PrecisionIdealW) 0.946

Model 1
 Recall: 0.882
 Precision: 
       all: 0.618  allw: 0.887
        <3: 0.871  <3w: 0.89

 F-measure:(Recall,Precision)  0.727
 F-measure:(Recall,PrecisionW) 0.885

 F-measure:(0,PrecisionIdeal)  0.931
 F-measure:(0,PrecisionIdealW) 0.942

Model 2
 Recall: 0.872
 Precision: 
       all: 0.628  allw: 0.867
        <3: 0.869  <3w: 0.909

 F-measure:(Recall,Precision)  0.73
 F-measure:(Recall,PrecisionW) 0.87

 F-measure:(0,PrecisionIdeal)  0.93
 F-measure:(0,PrecisionIdealW) 0.952

Model 3
 Recall: 0.874
 Precision: 
       all: 0.621  allw: 0.875
        <3: 0.868  <3w: 0.9

 F-measure:(Recall,Precision)  0.726
 F-measure:(Recall,PrecisionW) 0.874

 F-measure:(0,PrecisionIdeal)  0.929
 F-measure:(0,PrecisionIdealW) 0.947

Model 4
 Recall: 0.879
 Precision: 
       all: 0.63  allw: 0.893
        <3: 0.868  <3w: 0.906

 F-measure:(Recall,Precision)  0.734
 F-measure:(Recall,PrecisionW) 0.886

 F-measure:(0,PrecisionIdeal)  0.929
 F-measure:(0,PrecisionIdealW) 0.95

Model 5
 Recall: 0.879
 Precision: 
       all: 0.626  allw: 0.883
        <3: 0.872  <3w: 0.891

 F-measure:(Recall,Precision)  0.731
 F-measure:(Recall,PrecisionW) 0.881

 F-measure:(0,PrecisionIdeal)  0.931
 F-measure:(0,PrecisionIdealW) 0.942

Model 6
 Recall: 0.881
 Precision: 
       all: 0.618  allw: 0.889
        <3: 0.868  <3w: 0.902

 F-measure:(Recall,Precision)  0.726
 F-measure:(Recall,PrecisionW) 0.885

 F-measure:(0,PrecisionIdeal)  0.929
 F-measure:(0,PrecisionIdealW) 0.949

Model 7
 Recall: 0.875
 Precision: 
       all: 0.636  allw: 0.882
        <3: 0.87  <3w: 0.898

 F-measure:(Recall,Precision)  0.736
 F-measure:(Recall,PrecisionW) 0.878

 F-measure:(0,PrecisionIdeal)  0.931
 F-measure:(0,PrecisionIdealW) 0.946

Model 8
 Recall: 0.876
 Precision: 
       all: 0.63  allw: 0.884
        <3: 0.869  <3w: 0.907

 F-measure:(Recall,Precision)  0.733
 F-measure:(Recall,PrecisionW) 0.88

 F-measure:(0,PrecisionIdeal)  0.93
 F-measure:(0,PrecisionIdealW) 0.951

Model 9
 Recall: 0.873
 Precision: 
       all: 0.622  allw: 0.875
        <3: 0.869  <3w: 0.916

 F-measure:(Recall,Precision)  0.726
 F-measure:(Recall,PrecisionW) 0.874

 F-measure:(0,PrecisionIdeal)  0.93
 F-measure:(0,PrecisionIdealW) 0.956

Model 10
 Recall: 0.878
 Precision: 
       all: 0.631  allw: 0.873
        <3: 0.872  <3w: 0.907

 F-measure:(Recall,Precision)  0.734
 F-measure:(Recall,PrecisionW) 0.875

 F-measure:(0,PrecisionIdeal)  0.931
 F-measure:(0,PrecisionIdealW) 0.951

Model 11
 Recall: 0.873
 Precision: 
       all: 0.624  allw: 0.868
        <3: 0.871  <3w: 0.903

 F-measure:(Recall,Precision)  0.728
 F-measure:(Recall,PrecisionW) 0.871

 F-measure:(0,PrecisionIdeal)  0.931
 F-measure:(0,PrecisionIdealW) 0.949

Model 12
 Recall: 0.879
 Precision: 
       all: 0.628  allw: 0.89
        <3: 0.87  <3w: 0.899

 F-measure:(Recall,Precision)  0.733
 F-measure:(Recall,PrecisionW) 0.884

 F-measure:(0,PrecisionIdeal)  0.931
 F-measure:(0,PrecisionIdealW) 0.947

Model 13
 Recall: 0.874
 Precision: 
       all: 0.629  allw: 0.901
        <3: 0.869  <3w: 0.913

 F-measure:(Recall,Precision)  0.731
 F-measure:(Recall,PrecisionW) 0.887

 F-measure:(0,PrecisionIdeal)  0.93
 F-measure:(0,PrecisionIdealW) 0.954

Model 14
 Recall: 0.877
 Precision: 
       all: 0.627  allw: 0.888
        <3: 0.869  <3w: 0.909

 F-measure:(Recall,Precision)  0.731
 F-measure:(Recall,PrecisionW) 0.883

 F-measure:(0,PrecisionIdeal)  0.93
 F-measure:(0,PrecisionIdealW) 0.952

Model 15
 Recall: 0.875
 Precision: 
       all: 0.638  allw: 0.885
        <3: 0.868  <3w: 0.907

 F-measure:(Recall,Precision)  0.738
 F-measure:(Recall,PrecisionW) 0.88

 F-measure:(0,PrecisionIdeal)  0.929
 F-measure:(0,PrecisionIdealW) 0.951

Model 16
 Recall: 0.876
 Precision: 
       all: 0.63  allw: 0.894
        <3: 0.868  <3w: 0.898

 F-measure:(Recall,Precision)  0.733
 F-measure:(Recall,PrecisionW) 0.885

 F-measure:(0,PrecisionIdeal)  0.929
 F-measure:(0,PrecisionIdealW) 0.946

Model 17
 Recall: 0.877
 Precision: 
       all: 0.629  allw: 0.872
        <3: 0.867  <3w: 0.913

 F-measure:(Recall,Precision)  0.733
 F-measure:(Recall,PrecisionW) 0.875

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

Model 18
 Recall: 0.878
 Precision: 
       all: 0.626  allw: 0.881
        <3: 0.87  <3w: 0.912

 F-measure:(Recall,Precision)  0.731
 F-measure:(Recall,PrecisionW) 0.88

 F-measure:(0,PrecisionIdeal)  0.93
 F-measure:(0,PrecisionIdealW) 0.954

Model 19
 Recall: 0.878
 Precision: 
       all: 0.628  allw: 0.896
        <3: 0.869  <3w: 0.911

 F-measure:(Recall,Precision)  0.732
 F-measure:(Recall,PrecisionW) 0.887

 F-measure:(0,PrecisionIdeal)  0.93
 F-measure:(0,PrecisionIdealW) 0.953

Model 20
 Recall: 0.879
 Precision: 
       all: 0.634  allw: 0.879
        <3: 0.87  <3w: 0.909

 F-measure:(Recall,Precision)  0.737
 F-measure:(Recall,PrecisionW) 0.879

 F-measure:(0,PrecisionIdeal)  0.93
 F-measure:(0,PrecisionIdealW) 0.952

For freely-rotating-chain model:
Model ave Inconsistent score: 0.435(715/1642) 
Model ave  Missing interactions: 0.239 (263/1100)
              weighted: 0.169 (1.01e+05/5.99e+05)
                    <3: 0.146 (30/205)
                   <3w: 0.169 (5.23e+04/3.09e+05)

 Recall: 0.565
 Precision: 
       all: 0.761  allw: 0.831

 F-measure:(RecallFree,PrecisionFree)  0.648
 F-measure:(ReallFree,PrecisionFreeW) 0.672

# Summary for c_aro.peaks
Total simulated peaks: 31 Number of peaks NOT matched in the Peak List: 3
M score = 0.097

Average shift in HX: 0.0019 Average ab-shift in HX: 0.0099(Assignment used: 16)
Average shift in X: -0.049 Average ab-shift in X: 0.11(Assignment used: 16)
Average shift in HX2: 0.005 Average ab-shift in HX2: 0.01(Assignment used: 26)

#For peaklist c_aro.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0808(21/260) 
Model   1 Inconsistent score: 0.0808(21/260) 
Model   2 Inconsistent score: 0.0692(18/260) 
Model   3 Inconsistent score: 0.0769(20/260) 
Model   4 Inconsistent score: 0.0615(16/260) 
Model   5 Inconsistent score: 0.05(13/260) 
Model   6 Inconsistent score: 0.0731(19/260) 
Model   7 Inconsistent score: 0.0692(18/260) 
Model   8 Inconsistent score: 0.0923(24/260) 
Model   9 Inconsistent score: 0.0654(17/260) 
Model  10 Inconsistent score: 0.104(27/260) 
Model  11 Inconsistent score: 0.0769(20/260) 
Model  12 Inconsistent score: 0.0846(22/260) 
Model  13 Inconsistent score: 0.0731(19/260) 
Model  14 Inconsistent score: 0.0731(19/260) 
Model  15 Inconsistent score: 0.0731(19/260) 
Model  16 Inconsistent score: 0.0654(17/260) 
Model  17 Inconsistent score: 0.0846(22/260) 
Model  18 Inconsistent score: 0.0654(17/260) 
Model  19 Inconsistent score: 0.0423(11/260) 
Model  20 Inconsistent score: 0.0615(16/260) 
Model ave  Missing interactions: 0.585 (387/662)
              weighted: 0.314 (1.94e+05/6.17e+05)
                    <3: 0.312 (10/32)
                   <3w: 0.146 (1.97e+04/1.35e+05)
Model   1  Missing interactions: 0.629 (477/758)
              weighted: 0.395 (3.71e+05/9.39e+05)
                    <3: 0.303 (10/33)
                   <3w: 0.145 (1.97e+04/1.36e+05)
Model   2  Missing interactions: 0.602 (427/709)
              weighted: 0.359 (3.17e+05/8.83e+05)
                    <3: 0.312 (10/32)
                   <3w: 0.146 (1.97e+04/1.35e+05)
Model   3  Missing interactions: 0.611 (432/707)
              weighted: 0.409 (3.68e+05/9.02e+05)
                    <3: 0.312 (10/32)
                   <3w: 0.148 (1.99e+04/1.35e+05)
Model   4  Missing interactions: 0.596 (428/718)
              weighted: 0.356 (3.35e+05/9.4e+05)
                    <3: 0.312 (10/32)
                   <3w: 0.148 (1.99e+04/1.35e+05)
Model   5  Missing interactions: 0.599 (435/726)
              weighted: 0.366 (3.82e+05/1.04e+06)
                    <3: 0.303 (10/33)
                   <3w: 0.146 (1.97e+04/1.35e+05)
Model   6  Missing interactions: 0.623 (453/727)
              weighted: 0.415 (3.87e+05/9.32e+05)
                    <3: 0.323 (10/31)
                   <3w: 0.148 (1.99e+04/1.35e+05)
Model   7  Missing interactions: 0.606 (411/678)
              weighted: 0.387 (3.73e+05/9.64e+05)
                    <3: 0.303 (10/33)
                   <3w: 0.146 (1.97e+04/1.35e+05)
Model   8  Missing interactions: 0.611 (430/704)
              weighted: 0.399 (3.76e+05/9.41e+05)
                    <3: 0.323 (10/31)
                   <3w: 0.146 (1.97e+04/1.35e+05)
Model   9  Missing interactions: 0.597 (419/702)
              weighted: 0.309 (2.81e+05/9.08e+05)
                    <3: 0.323 (10/31)
                   <3w: 0.146 (1.97e+04/1.35e+05)
Model  10  Missing interactions: 0.608 (421/693)
              weighted: 0.358 (3.29e+05/9.19e+05)
                    <3: 0.323 (10/31)
                   <3w: 0.148 (1.99e+04/1.35e+05)
Model  11  Missing interactions: 0.636 (494/777)
              weighted: 0.339 (3.36e+05/9.93e+05)
                    <3: 0.323 (10/31)
                   <3w: 0.146 (1.97e+04/1.35e+05)
Model  12  Missing interactions: 0.609 (440/722)
              weighted: 0.37 (3.65e+05/9.86e+05)
                    <3: 0.312 (10/32)
                   <3w: 0.146 (1.97e+04/1.35e+05)
Model  13  Missing interactions: 0.616 (452/734)
              weighted: 0.389 (3.69e+05/9.5e+05)
                    <3: 0.323 (10/31)
                   <3w: 0.145 (1.97e+04/1.35e+05)
Model  14  Missing interactions: 0.617 (452/733)
              weighted: 0.396 (3.7e+05/9.35e+05)
                    <3: 0.312 (10/32)
                   <3w: 0.145 (1.97e+04/1.35e+05)
Model  15  Missing interactions: 0.603 (417/691)
              weighted: 0.392 (3.5e+05/8.93e+05)
                    <3: 0.323 (10/31)
                   <3w: 0.145 (1.94e+04/1.34e+05)
Model  16  Missing interactions: 0.617 (451/731)
              weighted: 0.391 (3.64e+05/9.31e+05)
                    <3: 0.323 (10/31)
                   <3w: 0.147 (1.97e+04/1.34e+05)
Model  17  Missing interactions: 0.614 (445/725)
              weighted: 0.432 (4.04e+05/9.35e+05)
                    <3: 0.323 (10/31)
                   <3w: 0.147 (1.97e+04/1.34e+05)
Model  18  Missing interactions: 0.613 (442/721)
              weighted: 0.338 (3.49e+05/1.03e+06)
                    <3: 0.303 (10/33)
                   <3w: 0.146 (1.97e+04/1.35e+05)
Model  19  Missing interactions: 0.608 (433/712)
              weighted: 0.355 (3.46e+05/9.73e+05)
                    <3: 0.323 (10/31)
                   <3w: 0.147 (1.99e+04/1.35e+05)
Model  20  Missing interactions: 0.607 (426/702)
              weighted: 0.39 (3.73e+05/9.57e+05)
                    <3: 0.312 (10/32)
                   <3w: 0.145 (1.97e+04/1.36e+05)

Model ave
 Recall: 0.919
 Precision: 
       all: 0.415  allw: 0.686
        <3: 0.688  <3w: 0.854

 F-measure:(Recall,Precision)  0.572
 F-measure:(Recall,PrecisionW) 0.786

 F-measure:(0,PrecisionIdeal)  0.815
 F-measure:(0,PrecisionIdealW) 0.921

Model 1
 Recall: 0.919
 Precision: 
       all: 0.371  allw: 0.605
        <3: 0.697  <3w: 0.855

 F-measure:(Recall,Precision)  0.528
 F-measure:(Recall,PrecisionW) 0.729

 F-measure:(0,PrecisionIdeal)  0.821
 F-measure:(0,PrecisionIdealW) 0.922

Model 2
 Recall: 0.931
 Precision: 
       all: 0.398  allw: 0.641
        <3: 0.688  <3w: 0.854

 F-measure:(Recall,Precision)  0.557
 F-measure:(Recall,PrecisionW) 0.759

 F-measure:(0,PrecisionIdeal)  0.815
 F-measure:(0,PrecisionIdealW) 0.921

Model 3
 Recall: 0.923
 Precision: 
       all: 0.389  allw: 0.591
        <3: 0.688  <3w: 0.852

 F-measure:(Recall,Precision)  0.547
 F-measure:(Recall,PrecisionW) 0.721

 F-measure:(0,PrecisionIdeal)  0.815
 F-measure:(0,PrecisionIdealW) 0.92

Model 4
 Recall: 0.938
 Precision: 
       all: 0.404  allw: 0.644
        <3: 0.688  <3w: 0.852

 F-measure:(Recall,Precision)  0.565
 F-measure:(Recall,PrecisionW) 0.764

 F-measure:(0,PrecisionIdeal)  0.815
 F-measure:(0,PrecisionIdealW) 0.92

Model 5
 Recall: 0.95
 Precision: 
       all: 0.401  allw: 0.634
        <3: 0.697  <3w: 0.854

 F-measure:(Recall,Precision)  0.564
 F-measure:(Recall,PrecisionW) 0.76

 F-measure:(0,PrecisionIdeal)  0.821
 F-measure:(0,PrecisionIdealW) 0.922

Model 6
 Recall: 0.927
 Precision: 
       all: 0.377  allw: 0.585
        <3: 0.677  <3w: 0.852

 F-measure:(Recall,Precision)  0.536
 F-measure:(Recall,PrecisionW) 0.717

 F-measure:(0,PrecisionIdeal)  0.808
 F-measure:(0,PrecisionIdealW) 0.92

Model 7
 Recall: 0.931
 Precision: 
       all: 0.394  allw: 0.613
        <3: 0.697  <3w: 0.854

 F-measure:(Recall,Precision)  0.553
 F-measure:(Recall,PrecisionW) 0.739

 F-measure:(0,PrecisionIdeal)  0.821
 F-measure:(0,PrecisionIdealW) 0.922

Model 8
 Recall: 0.908
 Precision: 
       all: 0.389  allw: 0.601
        <3: 0.677  <3w: 0.854

 F-measure:(Recall,Precision)  0.545
 F-measure:(Recall,PrecisionW) 0.723

 F-measure:(0,PrecisionIdeal)  0.808
 F-measure:(0,PrecisionIdealW) 0.921

Model 9
 Recall: 0.935
 Precision: 
       all: 0.403  allw: 0.691
        <3: 0.677  <3w: 0.854

 F-measure:(Recall,Precision)  0.563
 F-measure:(Recall,PrecisionW) 0.794

 F-measure:(0,PrecisionIdeal)  0.808
 F-measure:(0,PrecisionIdealW) 0.921

Model 10
 Recall: 0.896
 Precision: 
       all: 0.392  allw: 0.642
        <3: 0.677  <3w: 0.852

 F-measure:(Recall,Precision)  0.546
 F-measure:(Recall,PrecisionW) 0.748

 F-measure:(0,PrecisionIdeal)  0.808
 F-measure:(0,PrecisionIdealW) 0.92

Model 11
 Recall: 0.923
 Precision: 
       all: 0.364  allw: 0.661
        <3: 0.677  <3w: 0.854

 F-measure:(Recall,Precision)  0.522
 F-measure:(Recall,PrecisionW) 0.77

 F-measure:(0,PrecisionIdeal)  0.808
 F-measure:(0,PrecisionIdealW) 0.921

Model 12
 Recall: 0.915
 Precision: 
       all: 0.391  allw: 0.63
        <3: 0.688  <3w: 0.854

 F-measure:(Recall,Precision)  0.548
 F-measure:(Recall,PrecisionW) 0.746

 F-measure:(0,PrecisionIdeal)  0.815
 F-measure:(0,PrecisionIdealW) 0.921

Model 13
 Recall: 0.927
 Precision: 
       all: 0.384  allw: 0.611
        <3: 0.677  <3w: 0.855

 F-measure:(Recall,Precision)  0.543
 F-measure:(Recall,PrecisionW) 0.737

 F-measure:(0,PrecisionIdeal)  0.808
 F-measure:(0,PrecisionIdealW) 0.922

Model 14
 Recall: 0.927
 Precision: 
       all: 0.383  allw: 0.604
        <3: 0.688  <3w: 0.855

 F-measure:(Recall,Precision)  0.542
 F-measure:(Recall,PrecisionW) 0.731

 F-measure:(0,PrecisionIdeal)  0.815
 F-measure:(0,PrecisionIdealW) 0.922

Model 15
 Recall: 0.927
 Precision: 
       all: 0.397  allw: 0.608
        <3: 0.677  <3w: 0.855

 F-measure:(Recall,Precision)  0.555
 F-measure:(Recall,PrecisionW) 0.734

 F-measure:(0,PrecisionIdeal)  0.808
 F-measure:(0,PrecisionIdealW) 0.922

Model 16
 Recall: 0.935
 Precision: 
       all: 0.383  allw: 0.609
        <3: 0.677  <3w: 0.853

 F-measure:(Recall,Precision)  0.543
 F-measure:(Recall,PrecisionW) 0.738

 F-measure:(0,PrecisionIdeal)  0.808
 F-measure:(0,PrecisionIdealW) 0.921

Model 17
 Recall: 0.915
 Precision: 
       all: 0.386  allw: 0.568
        <3: 0.677  <3w: 0.853

 F-measure:(Recall,Precision)  0.543
 F-measure:(Recall,PrecisionW) 0.701

 F-measure:(0,PrecisionIdeal)  0.808
 F-measure:(0,PrecisionIdealW) 0.921

Model 18
 Recall: 0.935
 Precision: 
       all: 0.387  allw: 0.662
        <3: 0.697  <3w: 0.854

 F-measure:(Recall,Precision)  0.547
 F-measure:(Recall,PrecisionW) 0.775

 F-measure:(0,PrecisionIdeal)  0.821
 F-measure:(0,PrecisionIdealW) 0.921

Model 19
 Recall: 0.958
 Precision: 
       all: 0.392  allw: 0.645
        <3: 0.677  <3w: 0.853

 F-measure:(Recall,Precision)  0.556
 F-measure:(Recall,PrecisionW) 0.771

 F-measure:(0,PrecisionIdeal)  0.808
 F-measure:(0,PrecisionIdealW) 0.92

Model 20
 Recall: 0.938
 Precision: 
       all: 0.393  allw: 0.61
        <3: 0.688  <3w: 0.855

 F-measure:(Recall,Precision)  0.554
 F-measure:(Recall,PrecisionW) 0.74

 F-measure:(0,PrecisionIdeal)  0.815
 F-measure:(0,PrecisionIdealW) 0.922

For freely-rotating-chain model:
Model ave Inconsistent score: 0.662(172/260) 
Model ave  Missing interactions: 0.489 (66/135)
              weighted: 0.509 (3.08e+04/6.06e+04)
                    <3: 0.535 (23/43)
                   <3w: 0.553 (2.6e+04/4.7e+04)

 Recall: 0.338
 Precision: 
       all: 0.511  allw: 0.491

 F-measure:(RecallFree,PrecisionFree)  0.407
 F-measure:(ReallFree,PrecisionFreeW) 0.401

# Summary for c_ali.peaks
Total simulated peaks: 1010 Number of peaks NOT matched in the Peak List: 578
M score = 0.57

Average shift in HX: 0.003 Average ab-shift in HX: 0.0081(Assignment used: 238)
Average shift in X: -0.04 Average ab-shift in X: 0.077(Assignment used: 161)
Average shift in HX2: -0.0024 Average ab-shift in HX2: 0.01(Assignment used: 268)
Input error: M-score > 0.5


 Final M-score 0.169725 37/218

Model ave

 Final Recall-score for input query structures: 0.893796
 Final Precision-score for input query structures: 0.883085

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.89254

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.888
 F-score of ideal true structures:       0.943
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.818482

Model 1

 Final Recall-score for input query structures: 0.887487
 Final Precision-score for input query structures: 0.850631

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.885864

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.869
 F-score of ideal true structures:       0.939
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.765886

Model 2

 Final Recall-score for input query structures: 0.880126
 Final Precision-score for input query structures: 0.839722

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.902773

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.859
 F-score of ideal true structures:       0.949
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.708738

Model 3

 Final Recall-score for input query structures: 0.880652
 Final Precision-score for input query structures: 0.839245

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.894561

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.859
 F-score of ideal true structures:       0.944
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.720395

Model 4

 Final Recall-score for input query structures: 0.887487
 Final Precision-score for input query structures: 0.860528

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.899591

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.874
 F-score of ideal true structures:       0.947
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.762215

Model 5

 Final Recall-score for input query structures: 0.888538
 Final Precision-score for input query structures: 0.847717

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.886718

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.868
 F-score of ideal true structures:       0.94
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.76

Model 6

 Final Recall-score for input query structures: 0.886961
 Final Precision-score for input query structures: 0.849468

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.896276

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.868
 F-score of ideal true structures:       0.945
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.747541

Model 7

 Final Recall-score for input query structures: 0.882229
 Final Precision-score for input query structures: 0.846738

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.892537

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.864
 F-score of ideal true structures:       0.943
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.739274

Model 8

 Final Recall-score for input query structures: 0.880652
 Final Precision-score for input query structures: 0.847371

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.900668

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.864
 F-score of ideal true structures:       0.948
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.727273

Model 9

 Final Recall-score for input query structures: 0.881703
 Final Precision-score for input query structures: 0.851231

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.909071

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.866
 F-score of ideal true structures:       0.952
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.724359

Model 10

 Final Recall-score for input query structures: 0.880126
 Final Precision-score for input query structures: 0.84379

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.900761

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.862
 F-score of ideal true structures:       0.948
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.720779

Model 11

 Final Recall-score for input query structures: 0.880126
 Final Precision-score for input query structures: 0.840367

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.897223

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.86
 F-score of ideal true structures:       0.946
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.718954

Model 12

 Final Recall-score for input query structures: 0.884332
 Final Precision-score for input query structures: 0.853752

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.894122

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.869
 F-score of ideal true structures:       0.944
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.75329

Model 13

 Final Recall-score for input query structures: 0.881178
 Final Precision-score for input query structures: 0.862372

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.90609

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.872
 F-score of ideal true structures:       0.951
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.745981

Model 14

 Final Recall-score for input query structures: 0.883807
 Final Precision-score for input query structures: 0.85217

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.902501

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.868
 F-score of ideal true structures:       0.949
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.737864

Model 15

 Final Recall-score for input query structures: 0.881703
 Final Precision-score for input query structures: 0.85

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.901176

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.866
 F-score of ideal true structures:       0.948
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.733766

Model 16

 Final Recall-score for input query structures: 0.884332
 Final Precision-score for input query structures: 0.857096

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.892834

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.871
 F-score of ideal true structures:       0.943
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.762376

Model 17

 Final Recall-score for input query structures: 0.882229
 Final Precision-score for input query structures: 0.832998

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.90593

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.857
 F-score of ideal true structures:       0.951
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.697749

Model 18

 Final Recall-score for input query structures: 0.88591
 Final Precision-score for input query structures: 0.850523

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.905539

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.868
 F-score of ideal true structures:       0.95
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.735484

Model 19

 Final Recall-score for input query structures: 0.888538
 Final Precision-score for input query structures: 0.861911

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.903994

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.875
 F-score of ideal true structures:       0.95
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.758065

Model 20

 Final Recall-score for input query structures: 0.886961
 Final Precision-score for input query structures: 0.843742

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.902226

 Final Recall-score for freely-rotating-chain model: 0.533649
 Final Precision-score for freely-rotating-chain model: 0.799756

 Summary:
 F-score of input query structures:      0.865
 F-score of ideal true structures:       0.949
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.728155

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

NOESY_Assign:
      User CPU Time:         20 sec.
      Syst CPU Time:       0.35 sec.
Other Processes:
      User CPU Time:       0.47 sec.
      Syst CPU Time:       0.03 sec.

Total Elapsed Time:       20.9 sec. 
