# created by  ASDP Version 1.0 Copyright(C) 2010
# Fri May 10 05:01:28 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/HR1958_R3Cons_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q HR1958_R3Cons_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(180/1642) 
Model   1 Inconsistent score: 0.12(197/1642) 
Model   2 Inconsistent score: 0.114(188/1642) 
Model   3 Inconsistent score: 0.121(199/1642) 
Model   4 Inconsistent score: 0.117(192/1642) 
Model   5 Inconsistent score: 0.109(179/1642) 
Model   6 Inconsistent score: 0.118(194/1642) 
Model   7 Inconsistent score: 0.118(193/1642) 
Model   8 Inconsistent score: 0.121(198/1642) 
Model   9 Inconsistent score: 0.113(186/1642) 
Model  10 Inconsistent score: 0.11(180/1642) 
Model  11 Inconsistent score: 0.119(196/1642) 
Model  12 Inconsistent score: 0.114(188/1642) 
Model  13 Inconsistent score: 0.118(193/1642) 
Model  14 Inconsistent score: 0.118(193/1642) 
Model  15 Inconsistent score: 0.111(183/1642) 
Model  16 Inconsistent score: 0.12(197/1642) 
Model  17 Inconsistent score: 0.116(190/1642) 
Model  18 Inconsistent score: 0.121(198/1642) 
Model ave  Missing interactions: 0.355 (793/2232)
              weighted: 0.0903 (4.73e+05/5.24e+06)
                    <3: 0.13 (28/215)
                   <3w: 0.105 (9.44e+04/9.02e+05)
Model   1  Missing interactions: 0.385 (911/2366)
              weighted: 0.107 (6.56e+05/6.14e+06)
                    <3: 0.124 (27/217)
                   <3w: 0.093 (8.47e+04/9.11e+05)
Model   2  Missing interactions: 0.376 (873/2324)
              weighted: 0.123 (7.48e+05/6.08e+06)
                    <3: 0.127 (28/220)
                   <3w: 0.105 (9.89e+04/9.39e+05)
Model   3  Missing interactions: 0.386 (902/2336)
              weighted: 0.125 (7.93e+05/6.34e+06)
                    <3: 0.123 (27/219)
                   <3w: 0.104 (9.83e+04/9.49e+05)
Model   4  Missing interactions: 0.381 (886/2327)
              weighted: 0.0975 (5.8e+05/5.95e+06)
                    <3: 0.127 (28/221)
                   <3w: 0.0952 (8.59e+04/9.02e+05)
Model   5  Missing interactions: 0.378 (872/2306)
              weighted: 0.104 (6.33e+05/6.08e+06)
                    <3: 0.125 (27/216)
                   <3w: 0.108 (9.86e+04/9.16e+05)
Model   6  Missing interactions: 0.387 (908/2346)
              weighted: 0.136 (8.66e+05/6.37e+06)
                    <3: 0.127 (28/220)
                   <3w: 0.0934 (8.56e+04/9.17e+05)
Model   7  Missing interactions: 0.384 (897/2334)
              weighted: 0.115 (7.14e+05/6.2e+06)
                    <3: 0.129 (28/217)
                   <3w: 0.0945 (8.62e+04/9.12e+05)
Model   8  Missing interactions: 0.371 (849/2289)
              weighted: 0.106 (6.44e+05/6.08e+06)
                    <3: 0.122 (27/221)
                   <3w: 0.103 (9.74e+04/9.42e+05)
Model   9  Missing interactions: 0.388 (926/2384)
              weighted: 0.12 (7.36e+05/6.12e+06)
                    <3: 0.125 (28/224)
                   <3w: 0.105 (9.82e+04/9.33e+05)
Model  10  Missing interactions: 0.378 (887/2349)
              weighted: 0.108 (6.63e+05/6.15e+06)
                    <3: 0.128 (28/218)
                   <3w: 0.121 (1.13e+05/9.29e+05)
Model  11  Missing interactions: 0.383 (892/2328)
              weighted: 0.105 (6.33e+05/6.04e+06)
                    <3: 0.128 (28/219)
                   <3w: 0.109 (9.82e+04/8.98e+05)
Model  12  Missing interactions: 0.384 (901/2344)
              weighted: 0.115 (6.97e+05/6.05e+06)
                    <3: 0.126 (28/223)
                   <3w: 0.0965 (8.67e+04/8.99e+05)
Model  13  Missing interactions: 0.383 (900/2350)
              weighted: 0.1 (6.08e+05/6.07e+06)
                    <3: 0.123 (27/219)
                   <3w: 0.0958 (8.47e+04/8.84e+05)
Model  14  Missing interactions: 0.381 (887/2329)
              weighted: 0.117 (7.39e+05/6.31e+06)
                    <3: 0.126 (28/222)
                   <3w: 0.103 (9.89e+04/9.57e+05)
Model  15  Missing interactions: 0.39 (924/2372)
              weighted: 0.113 (6.75e+05/6e+06)
                    <3: 0.128 (28/218)
                   <3w: 0.105 (9.72e+04/9.27e+05)
Model  16  Missing interactions: 0.38 (887/2332)
              weighted: 0.119 (7.39e+05/6.19e+06)
                    <3: 0.127 (28/221)
                   <3w: 0.095 (8.69e+04/9.15e+05)
Model  17  Missing interactions: 0.39 (926/2374)
              weighted: 0.11 (6.71e+05/6.11e+06)
                    <3: 0.129 (28/217)
                   <3w: 0.0975 (8.81e+04/9.04e+05)
Model  18  Missing interactions: 0.382 (887/2319)
              weighted: 0.126 (7.95e+05/6.3e+06)
                    <3: 0.127 (28/220)
                   <3w: 0.113 (1.08e+05/9.56e+05)

Model ave
 Recall: 0.89
 Precision: 
       all: 0.645  allw: 0.91
        <3: 0.87  <3w: 0.895

 F-measure:(Recall,Precision)  0.748
 F-measure:(Recall,PrecisionW) 0.9

 F-measure:(0,PrecisionIdeal)  0.93
 F-measure:(0,PrecisionIdealW) 0.945

Model 1
 Recall: 0.88
 Precision: 
       all: 0.615  allw: 0.893
        <3: 0.876  <3w: 0.907

 F-measure:(Recall,Precision)  0.724
 F-measure:(Recall,PrecisionW) 0.887

 F-measure:(0,PrecisionIdeal)  0.934
 F-measure:(0,PrecisionIdealW) 0.951

Model 2
 Recall: 0.886
 Precision: 
       all: 0.624  allw: 0.877
        <3: 0.873  <3w: 0.895

 F-measure:(Recall,Precision)  0.732
 F-measure:(Recall,PrecisionW) 0.881

 F-measure:(0,PrecisionIdeal)  0.932
 F-measure:(0,PrecisionIdealW) 0.944

Model 3
 Recall: 0.879
 Precision: 
       all: 0.614  allw: 0.875
        <3: 0.877  <3w: 0.896

 F-measure:(Recall,Precision)  0.723
 F-measure:(Recall,PrecisionW) 0.877

 F-measure:(0,PrecisionIdeal)  0.934
 F-measure:(0,PrecisionIdealW) 0.945

Model 4
 Recall: 0.883
 Precision: 
       all: 0.619  allw: 0.903
        <3: 0.873  <3w: 0.905

 F-measure:(Recall,Precision)  0.728
 F-measure:(Recall,PrecisionW) 0.893

 F-measure:(0,PrecisionIdeal)  0.932
 F-measure:(0,PrecisionIdealW) 0.95

Model 5
 Recall: 0.891
 Precision: 
       all: 0.622  allw: 0.896
        <3: 0.875  <3w: 0.892

 F-measure:(Recall,Precision)  0.732
 F-measure:(Recall,PrecisionW) 0.893

 F-measure:(0,PrecisionIdeal)  0.933
 F-measure:(0,PrecisionIdealW) 0.943

Model 6
 Recall: 0.882
 Precision: 
       all: 0.613  allw: 0.864
        <3: 0.873  <3w: 0.907

 F-measure:(Recall,Precision)  0.723
 F-measure:(Recall,PrecisionW) 0.873

 F-measure:(0,PrecisionIdeal)  0.932
 F-measure:(0,PrecisionIdealW) 0.951

Model 7
 Recall: 0.882
 Precision: 
       all: 0.616  allw: 0.885
        <3: 0.871  <3w: 0.905

 F-measure:(Recall,Precision)  0.725
 F-measure:(Recall,PrecisionW) 0.884

 F-measure:(0,PrecisionIdeal)  0.931
 F-measure:(0,PrecisionIdealW) 0.95

Model 8
 Recall: 0.879
 Precision: 
       all: 0.629  allw: 0.894
        <3: 0.878  <3w: 0.897

 F-measure:(Recall,Precision)  0.733
 F-measure:(Recall,PrecisionW) 0.887

 F-measure:(0,PrecisionIdeal)  0.935
 F-measure:(0,PrecisionIdealW) 0.945

Model 9
 Recall: 0.887
 Precision: 
       all: 0.612  allw: 0.88
        <3: 0.875  <3w: 0.895

 F-measure:(Recall,Precision)  0.724
 F-measure:(Recall,PrecisionW) 0.883

 F-measure:(0,PrecisionIdeal)  0.933
 F-measure:(0,PrecisionIdealW) 0.944

Model 10
 Recall: 0.89
 Precision: 
       all: 0.622  allw: 0.892
        <3: 0.872  <3w: 0.879

 F-measure:(Recall,Precision)  0.733
 F-measure:(Recall,PrecisionW) 0.891

 F-measure:(0,PrecisionIdeal)  0.931
 F-measure:(0,PrecisionIdealW) 0.936

Model 11
 Recall: 0.881
 Precision: 
       all: 0.617  allw: 0.895
        <3: 0.872  <3w: 0.891

 F-measure:(Recall,Precision)  0.726
 F-measure:(Recall,PrecisionW) 0.888

 F-measure:(0,PrecisionIdeal)  0.932
 F-measure:(0,PrecisionIdealW) 0.942

Model 12
 Recall: 0.886
 Precision: 
       all: 0.616  allw: 0.885
        <3: 0.874  <3w: 0.904

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

 F-measure:(0,PrecisionIdeal)  0.933
 F-measure:(0,PrecisionIdealW) 0.949

Model 13
 Recall: 0.882
 Precision: 
       all: 0.617  allw: 0.9
        <3: 0.877  <3w: 0.904

 F-measure:(Recall,Precision)  0.726
 F-measure:(Recall,PrecisionW) 0.891

 F-measure:(0,PrecisionIdeal)  0.934
 F-measure:(0,PrecisionIdealW) 0.95

Model 14
 Recall: 0.882
 Precision: 
       all: 0.619  allw: 0.883
        <3: 0.874  <3w: 0.897

 F-measure:(Recall,Precision)  0.728
 F-measure:(Recall,PrecisionW) 0.883

 F-measure:(0,PrecisionIdeal)  0.933
 F-measure:(0,PrecisionIdealW) 0.945

Model 15
 Recall: 0.889
 Precision: 
       all: 0.61  allw: 0.887
        <3: 0.872  <3w: 0.895

 F-measure:(Recall,Precision)  0.724
 F-measure:(Recall,PrecisionW) 0.888

 F-measure:(0,PrecisionIdeal)  0.931
 F-measure:(0,PrecisionIdealW) 0.945

Model 16
 Recall: 0.88
 Precision: 
       all: 0.62  allw: 0.881
        <3: 0.873  <3w: 0.905

 F-measure:(Recall,Precision)  0.727
 F-measure:(Recall,PrecisionW) 0.88

 F-measure:(0,PrecisionIdeal)  0.932
 F-measure:(0,PrecisionIdealW) 0.95

Model 17
 Recall: 0.884
 Precision: 
       all: 0.61  allw: 0.89
        <3: 0.871  <3w: 0.903

 F-measure:(Recall,Precision)  0.722
 F-measure:(Recall,PrecisionW) 0.887

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

Model 18
 Recall: 0.879
 Precision: 
       all: 0.618  allw: 0.874
        <3: 0.873  <3w: 0.887

 F-measure:(Recall,Precision)  0.726
 F-measure:(Recall,PrecisionW) 0.877

 F-measure:(0,PrecisionIdeal)  0.932
 F-measure:(0,PrecisionIdealW) 0.94

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: 0.0538(14/260) 
Model   1 Inconsistent score: 0.0462(12/260) 
Model   2 Inconsistent score: 0.0615(16/260) 
Model   3 Inconsistent score: 0.0538(14/260) 
Model   4 Inconsistent score: 0.0615(16/260) 
Model   5 Inconsistent score: 0.05(13/260) 
Model   6 Inconsistent score: 0.0577(15/260) 
Model   7 Inconsistent score: 0.0577(15/260) 
Model   8 Inconsistent score: 0.0731(19/260) 
Model   9 Inconsistent score: 0.0538(14/260) 
Model  10 Inconsistent score: 0.0654(17/260) 
Model  11 Inconsistent score: 0.0462(12/260) 
Model  12 Inconsistent score: 0.0538(14/260) 
Model  13 Inconsistent score: 0.0423(11/260) 
Model  14 Inconsistent score: 0.0769(20/260) 
Model  15 Inconsistent score: 0.0462(12/260) 
Model  16 Inconsistent score: 0.05(13/260) 
Model  17 Inconsistent score: 0.0769(20/260) 
Model  18 Inconsistent score: 0.0692(18/260) 
Model ave  Missing interactions: 0.599 (423/706)
              weighted: 0.329 (2.22e+05/6.75e+05)
                    <3: 0.312 (10/32)
                   <3w: 0.151 (2e+04/1.32e+05)
Model   1  Missing interactions: 0.621 (480/773)
              weighted: 0.357 (3.6e+05/1.01e+06)
                    <3: 0.241 (7/29)
                   <3w: 0.149 (1.92e+04/1.29e+05)
Model   2  Missing interactions: 0.641 (501/781)
              weighted: 0.383 (3.87e+05/1.01e+06)
                    <3: 0.312 (10/32)
                   <3w: 0.15 (1.99e+04/1.33e+05)
Model   3  Missing interactions: 0.641 (520/811)
              weighted: 0.368 (3.46e+05/9.4e+05)
                    <3: 0.207 (6/29)
                   <3w: 0.157 (2.06e+04/1.31e+05)
Model   4  Missing interactions: 0.638 (515/807)
              weighted: 0.409 (3.94e+05/9.65e+05)
                    <3: 0.303 (10/33)
                   <3w: 0.146 (1.92e+04/1.31e+05)
Model   5  Missing interactions: 0.626 (488/780)
              weighted: 0.358 (3.49e+05/9.77e+05)
                    <3: 0.233 (7/30)
                   <3w: 0.148 (1.92e+04/1.3e+05)
Model   6  Missing interactions: 0.638 (502/787)
              weighted: 0.375 (3.5e+05/9.34e+05)
                    <3: 0.312 (10/32)
                   <3w: 0.146 (1.92e+04/1.32e+05)
Model   7  Missing interactions: 0.635 (511/805)
              weighted: 0.423 (4.21e+05/9.95e+05)
                    <3: 0.312 (10/32)
                   <3w: 0.148 (1.97e+04/1.33e+05)
Model   8  Missing interactions: 0.617 (459/744)
              weighted: 0.394 (3.91e+05/9.94e+05)
                    <3: 0.241 (7/29)
                   <3w: 0.149 (1.95e+04/1.3e+05)
Model   9  Missing interactions: 0.638 (520/815)
              weighted: 0.402 (4.12e+05/1.03e+06)
                    <3: 0.303 (10/33)
                   <3w: 0.149 (1.97e+04/1.32e+05)
Model  10  Missing interactions: 0.637 (507/796)
              weighted: 0.425 (4.35e+05/1.02e+06)
                    <3: 0.303 (10/33)
                   <3w: 0.146 (1.94e+04/1.33e+05)
Model  11  Missing interactions: 0.618 (478/773)
              weighted: 0.365 (3.52e+05/9.64e+05)
                    <3: 0.303 (10/33)
                   <3w: 0.146 (1.92e+04/1.31e+05)
Model  12  Missing interactions: 0.633 (508/803)
              weighted: 0.426 (4.27e+05/1e+06)
                    <3: 0.303 (10/33)
                   <3w: 0.149 (1.97e+04/1.32e+05)
Model  13  Missing interactions: 0.63 (498/791)
              weighted: 0.392 (3.97e+05/1.01e+06)
                    <3: 0.241 (7/29)
                   <3w: 0.148 (1.92e+04/1.3e+05)
Model  14  Missing interactions: 0.646 (532/823)
              weighted: 0.403 (4.34e+05/1.08e+06)
                    <3: 0.303 (10/33)
                   <3w: 0.148 (1.97e+04/1.33e+05)
Model  15  Missing interactions: 0.634 (513/809)
              weighted: 0.377 (3.82e+05/1.01e+06)
                    <3: 0.29 (9/31)
                   <3w: 0.152 (2.03e+04/1.33e+05)
Model  16  Missing interactions: 0.621 (481/774)
              weighted: 0.34 (3.25e+05/9.58e+05)
                    <3: 0.312 (10/32)
                   <3w: 0.148 (1.97e+04/1.33e+05)
Model  17  Missing interactions: 0.638 (499/782)
              weighted: 0.4 (4.01e+05/1e+06)
                    <3: 0.29 (9/31)
                   <3w: 0.152 (2.03e+04/1.33e+05)
Model  18  Missing interactions: 0.628 (483/769)
              weighted: 0.396 (3.92e+05/9.92e+05)
                    <3: 0.303 (10/33)
                   <3w: 0.148 (1.97e+04/1.33e+05)

Model ave
 Recall: 0.946
 Precision: 
       all: 0.401  allw: 0.671
        <3: 0.688  <3w: 0.849

 F-measure:(Recall,Precision)  0.563
 F-measure:(Recall,PrecisionW) 0.785

 F-measure:(0,PrecisionIdeal)  0.815
 F-measure:(0,PrecisionIdealW) 0.918

Model 1
 Recall: 0.954
 Precision: 
       all: 0.379  allw: 0.643
        <3: 0.759  <3w: 0.851

 F-measure:(Recall,Precision)  0.543
 F-measure:(Recall,PrecisionW) 0.768

 F-measure:(0,PrecisionIdeal)  0.863
 F-measure:(0,PrecisionIdealW) 0.92

Model 2
 Recall: 0.938
 Precision: 
       all: 0.359  allw: 0.617
        <3: 0.688  <3w: 0.85

 F-measure:(Recall,Precision)  0.519
 F-measure:(Recall,PrecisionW) 0.744

 F-measure:(0,PrecisionIdeal)  0.815
 F-measure:(0,PrecisionIdealW) 0.919

Model 3
 Recall: 0.946
 Precision: 
       all: 0.359  allw: 0.632
        <3: 0.793  <3w: 0.843

 F-measure:(Recall,Precision)  0.52
 F-measure:(Recall,PrecisionW) 0.758

 F-measure:(0,PrecisionIdeal)  0.885
 F-measure:(0,PrecisionIdealW) 0.915

Model 4
 Recall: 0.938
 Precision: 
       all: 0.362  allw: 0.591
        <3: 0.697  <3w: 0.854

 F-measure:(Recall,Precision)  0.522
 F-measure:(Recall,PrecisionW) 0.725

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

Model 5
 Recall: 0.95
 Precision: 
       all: 0.374  allw: 0.642
        <3: 0.767  <3w: 0.852

 F-measure:(Recall,Precision)  0.537
 F-measure:(Recall,PrecisionW) 0.766

 F-measure:(0,PrecisionIdeal)  0.868
 F-measure:(0,PrecisionIdealW) 0.92

Model 6
 Recall: 0.942
 Precision: 
       all: 0.362  allw: 0.625
        <3: 0.688  <3w: 0.854

 F-measure:(Recall,Precision)  0.523
 F-measure:(Recall,PrecisionW) 0.752

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

Model 7
 Recall: 0.942
 Precision: 
       all: 0.365  allw: 0.577
        <3: 0.688  <3w: 0.852

 F-measure:(Recall,Precision)  0.526
 F-measure:(Recall,PrecisionW) 0.716

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

Model 8
 Recall: 0.927
 Precision: 
       all: 0.383  allw: 0.606
        <3: 0.759  <3w: 0.851

 F-measure:(Recall,Precision)  0.542
 F-measure:(Recall,PrecisionW) 0.733

 F-measure:(0,PrecisionIdeal)  0.863
 F-measure:(0,PrecisionIdealW) 0.919

Model 9
 Recall: 0.946
 Precision: 
       all: 0.362  allw: 0.598
        <3: 0.697  <3w: 0.851

 F-measure:(Recall,Precision)  0.524
 F-measure:(Recall,PrecisionW) 0.733

 F-measure:(0,PrecisionIdeal)  0.821
 F-measure:(0,PrecisionIdealW) 0.92

Model 10
 Recall: 0.935
 Precision: 
       all: 0.363  allw: 0.575
        <3: 0.697  <3w: 0.854

 F-measure:(Recall,Precision)  0.523
 F-measure:(Recall,PrecisionW) 0.712

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

Model 11
 Recall: 0.954
 Precision: 
       all: 0.382  allw: 0.635
        <3: 0.697  <3w: 0.854

 F-measure:(Recall,Precision)  0.545
 F-measure:(Recall,PrecisionW) 0.763

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

Model 12
 Recall: 0.946
 Precision: 
       all: 0.367  allw: 0.574
        <3: 0.697  <3w: 0.851

 F-measure:(Recall,Precision)  0.529
 F-measure:(Recall,PrecisionW) 0.715

 F-measure:(0,PrecisionIdeal)  0.821
 F-measure:(0,PrecisionIdealW) 0.92

Model 13
 Recall: 0.958
 Precision: 
       all: 0.37  allw: 0.608
        <3: 0.759  <3w: 0.852

 F-measure:(Recall,Precision)  0.534
 F-measure:(Recall,PrecisionW) 0.744

 F-measure:(0,PrecisionIdeal)  0.863
 F-measure:(0,PrecisionIdealW) 0.92

Model 14
 Recall: 0.923
 Precision: 
       all: 0.354  allw: 0.597
        <3: 0.697  <3w: 0.852

 F-measure:(Recall,Precision)  0.511
 F-measure:(Recall,PrecisionW) 0.725

 F-measure:(0,PrecisionIdeal)  0.821
 F-measure:(0,PrecisionIdealW) 0.92

Model 15
 Recall: 0.954
 Precision: 
       all: 0.366  allw: 0.623
        <3: 0.71  <3w: 0.848

 F-measure:(Recall,Precision)  0.529
 F-measure:(Recall,PrecisionW) 0.753

 F-measure:(0,PrecisionIdeal)  0.83
 F-measure:(0,PrecisionIdealW) 0.918

Model 16
 Recall: 0.95
 Precision: 
       all: 0.379  allw: 0.66
        <3: 0.688  <3w: 0.852

 F-measure:(Recall,Precision)  0.541
 F-measure:(Recall,PrecisionW) 0.779

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

Model 17
 Recall: 0.923
 Precision: 
       all: 0.362  allw: 0.6
        <3: 0.71  <3w: 0.848

 F-measure:(Recall,Precision)  0.52
 F-measure:(Recall,PrecisionW) 0.728

 F-measure:(0,PrecisionIdeal)  0.83
 F-measure:(0,PrecisionIdealW) 0.918

Model 18
 Recall: 0.931
 Precision: 
       all: 0.372  allw: 0.604
        <3: 0.697  <3w: 0.852

 F-measure:(Recall,Precision)  0.531
 F-measure:(Recall,PrecisionW) 0.733

 F-measure:(0,PrecisionIdeal)  0.821
 F-measure:(0,PrecisionIdealW) 0.92

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: 0.898002
 Final Precision-score for input query structures: 0.882403

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.889341

 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:      0.89
 F-score of ideal true structures:       0.941
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.830565

Model 1

 Final Recall-score for input query structures: 0.890116
 Final Precision-score for input query structures: 0.857917

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.900108

 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 2

 Final Recall-score for input query structures: 0.892744
 Final Precision-score for input query structures: 0.839935

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.889259

 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:       0.941
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.750831

Model 3

 Final Recall-score for input query structures: 0.888013
 Final Precision-score for input query structures: 0.843643

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.889958

 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:       0.942
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.745033

Model 4

 Final Recall-score for input query structures: 0.890641
 Final Precision-score for input query structures: 0.859064

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.898328

 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:       0.946
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.767974

Model 5

 Final Recall-score for input query structures: 0.899054
 Final Precision-score for input query structures: 0.860736

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.887415

 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:      0.879
 F-score of ideal true structures:       0.94
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.796667

Model 6

 Final Recall-score for input query structures: 0.890116
 Final Precision-score for input query structures: 0.833414

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.900058

 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:      0.861
 F-score of ideal true structures:       0.947
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.71987

Model 7

 Final Recall-score for input query structures: 0.890641
 Final Precision-score for input query structures: 0.842251

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.898629

 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:       0.947
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.736156

Model 8

 Final Recall-score for input query structures: 0.88591
 Final Precision-score for input query structures: 0.853584

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.890976

 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:       0.942
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.758278

Model 9

 Final Recall-score for input query structures: 0.894848
 Final Precision-score for input query structures: 0.839311

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.88927

 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:       0.941
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.750831

Model 10

 Final Recall-score for input query structures: 0.896425
 Final Precision-score for input query structures: 0.846816

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.87582

 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:       0.934
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.785714

Model 11

 Final Recall-score for input query structures: 0.890641
 Final Precision-score for input query structures: 0.859454

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.885903

 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:       0.939
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.785953

Model 12

 Final Recall-score for input query structures: 0.893796
 Final Precision-score for input query structures: 0.84067

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.896801

 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:       0.946
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.738562

Model 13

 Final Recall-score for input query structures: 0.892744
 Final Precision-score for input query structures: 0.858083

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.897476

 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:       0.946
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.767974

Model 14

 Final Recall-score for input query structures: 0.888013
 Final Precision-score for input query structures: 0.841173

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.891118

 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:       0.942
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.741722

Model 15

 Final Recall-score for input query structures: 0.897476
 Final Precision-score for input query structures: 0.849247

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.889233

 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:      0.873
 F-score of ideal true structures:       0.941
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.774087

Model 16

 Final Recall-score for input query structures: 0.88959
 Final Precision-score for input query structures: 0.851126

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.898319

 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:      0.87
 F-score of ideal true structures:       0.946
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.751634

Model 17

 Final Recall-score for input query structures: 0.88959
 Final Precision-score for input query structures: 0.849292

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.895481

 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:       0.945
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.75082

Model 18

 Final Recall-score for input query structures: 0.886435
 Final Precision-score for input query structures: 0.83704

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.88293

 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:      0.861
 F-score of ideal true structures:       0.938
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.741611

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

NOESY_Assign:
      User CPU Time:       18.1 sec.
      Syst CPU Time:       0.41 sec.
Other Processes:
      User CPU Time:       0.43 sec.
      Syst CPU Time:       0.04 sec.

Total Elapsed Time:         19 sec.