# created by  ASDP Version 1.0 Copyright(C) 2010
# Fri May 10 04:47:08 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/HR1958_R3_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q HR1958_R3_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: 0.107(175/1642) 
Model   1 Inconsistent score: 0.121(198/1642) 
Model   2 Inconsistent score: 0.115(189/1642) 
Model   3 Inconsistent score: 0.114(187/1642) 
Model   4 Inconsistent score: 0.114(187/1642) 
Model   5 Inconsistent score: 0.117(192/1642) 
Model   6 Inconsistent score: 0.119(195/1642) 
Model   7 Inconsistent score: 0.116(191/1642) 
Model   8 Inconsistent score: 0.117(192/1642) 
Model   9 Inconsistent score: 0.121(199/1642) 
Model  10 Inconsistent score: 0.113(185/1642) 
Model  11 Inconsistent score: 0.114(187/1642) 
Model  12 Inconsistent score: 0.111(182/1642) 
Model  13 Inconsistent score: 0.117(192/1642) 
Model  14 Inconsistent score: 0.119(195/1642) 
Model  15 Inconsistent score: 0.115(189/1642) 
Model  16 Inconsistent score: 0.108(178/1642) 
Model  17 Inconsistent score: 0.121(198/1642) 
Model  18 Inconsistent score: 0.113(186/1642) 
Model  19 Inconsistent score: 0.117(192/1642) 
Model  20 Inconsistent score: 0.119(196/1642) 
Model ave  Missing interactions: 0.365 (824/2259)
              weighted: 0.0896 (4.74e+05/5.29e+06)
                    <3: 0.129 (28/217)
                   <3w: 0.104 (9.44e+04/9.1e+05)
Model   1  Missing interactions: 0.372 (853/2292)
              weighted: 0.135 (8.57e+05/6.34e+06)
                    <3: 0.129 (28/217)
                   <3w: 0.0961 (8.89e+04/9.25e+05)
Model   2  Missing interactions: 0.38 (890/2341)
              weighted: 0.122 (7.44e+05/6.08e+06)
                    <3: 0.128 (28/218)
                   <3w: 0.109 (1.01e+05/9.27e+05)
Model   3  Missing interactions: 0.382 (894/2342)
              weighted: 0.119 (7.34e+05/6.16e+06)
                    <3: 0.125 (28/224)
                   <3w: 0.106 (9.89e+04/9.35e+05)
Model   4  Missing interactions: 0.389 (927/2384)
              weighted: 0.112 (6.76e+05/6.04e+06)
                    <3: 0.124 (27/217)
                   <3w: 0.104 (9.75e+04/9.39e+05)
Model   5  Missing interactions: 0.376 (873/2322)
              weighted: 0.123 (7.64e+05/6.19e+06)
                    <3: 0.127 (28/221)
                   <3w: 0.0927 (8.69e+04/9.38e+05)
Model   6  Missing interactions: 0.391 (928/2373)
              weighted: 0.125 (7.68e+05/6.17e+06)
                    <3: 0.124 (27/218)
                   <3w: 0.0915 (8.56e+04/9.35e+05)
Model   7  Missing interactions: 0.377 (865/2297)
              weighted: 0.108 (6.54e+05/6.06e+06)
                    <3: 0.127 (28/220)
                   <3w: 0.107 (1e+05/9.35e+05)
Model   8  Missing interactions: 0.379 (876/2312)
              weighted: 0.116 (7.3e+05/6.31e+06)
                    <3: 0.126 (28/222)
                   <3w: 0.105 (9.93e+04/9.48e+05)
Model   9  Missing interactions: 0.391 (919/2351)
              weighted: 0.123 (7.7e+05/6.24e+06)
                    <3: 0.124 (28/225)
                   <3w: 0.113 (1.12e+05/9.87e+05)
Model  10  Missing interactions: 0.383 (900/2349)
              weighted: 0.113 (6.85e+05/6.07e+06)
                    <3: 0.122 (27/222)
                   <3w: 0.0976 (8.65e+04/8.86e+05)
Model  11  Missing interactions: 0.379 (882/2326)
              weighted: 0.105 (6.42e+05/6.12e+06)
                    <3: 0.124 (27/217)
                   <3w: 0.11 (1.01e+05/9.13e+05)
Model  12  Missing interactions: 0.381 (898/2356)
              weighted: 0.106 (6.44e+05/6.05e+06)
                    <3: 0.126 (28/222)
                   <3w: 0.0974 (8.77e+04/9e+05)
Model  13  Missing interactions: 0.383 (892/2328)
              weighted: 0.107 (6.6e+05/6.19e+06)
                    <3: 0.128 (28/219)
                   <3w: 0.0949 (8.59e+04/9.05e+05)
Model  14  Missing interactions: 0.385 (895/2324)
              weighted: 0.109 (6.68e+05/6.14e+06)
                    <3: 0.128 (28/218)
                   <3w: 0.108 (9.85e+04/9.16e+05)
Model  15  Missing interactions: 0.384 (903/2353)
              weighted: 0.121 (7.53e+05/6.22e+06)
                    <3: 0.127 (28/220)
                   <3w: 0.0945 (8.69e+04/9.2e+05)
Model  16  Missing interactions: 0.384 (907/2360)
              weighted: 0.103 (6.3e+05/6.12e+06)
                    <3: 0.13 (28/215)
                   <3w: 0.12 (1.1e+05/9.19e+05)
Model  17  Missing interactions: 0.392 (918/2343)
              weighted: 0.123 (7.71e+05/6.26e+06)
                    <3: 0.122 (27/221)
                   <3w: 0.103 (9.85e+04/9.58e+05)
Model  18  Missing interactions: 0.386 (911/2358)
              weighted: 0.106 (6.43e+05/6.09e+06)
                    <3: 0.121 (27/223)
                   <3w: 0.0943 (8.55e+04/9.07e+05)
Model  19  Missing interactions: 0.393 (948/2415)
              weighted: 0.112 (6.98e+05/6.26e+06)
                    <3: 0.123 (27/220)
                   <3w: 0.0909 (8.47e+04/9.32e+05)
Model  20  Missing interactions: 0.382 (896/2345)
              weighted: 0.103 (6.22e+05/6.05e+06)
                    <3: 0.123 (27/220)
                   <3w: 0.0957 (8.55e+04/8.94e+05)

Model ave
 Recall: 0.893
 Precision: 
       all: 0.635  allw: 0.91
        <3: 0.871  <3w: 0.896

 F-measure:(Recall,Precision)  0.743
 F-measure:(Recall,PrecisionW) 0.902

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

Model 1
 Recall: 0.879
 Precision: 
       all: 0.628  allw: 0.865
        <3: 0.871  <3w: 0.904

 F-measure:(Recall,Precision)  0.733
 F-measure:(Recall,PrecisionW) 0.872

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

Model 2
 Recall: 0.885
 Precision: 
       all: 0.62  allw: 0.878
        <3: 0.872  <3w: 0.891

 F-measure:(Recall,Precision)  0.729
 F-measure:(Recall,PrecisionW) 0.881

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

Model 3
 Recall: 0.886
 Precision: 
       all: 0.618  allw: 0.881
        <3: 0.875  <3w: 0.894

 F-measure:(Recall,Precision)  0.728
 F-measure:(Recall,PrecisionW) 0.884

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

Model 4
 Recall: 0.886
 Precision: 
       all: 0.611  allw: 0.888
        <3: 0.876  <3w: 0.896

 F-measure:(Recall,Precision)  0.723
 F-measure:(Recall,PrecisionW) 0.887

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

Model 5
 Recall: 0.883
 Precision: 
       all: 0.624  allw: 0.877
        <3: 0.873  <3w: 0.907

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

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

Model 6
 Recall: 0.881
 Precision: 
       all: 0.609  allw: 0.875
        <3: 0.876  <3w: 0.908

 F-measure:(Recall,Precision)  0.72
 F-measure:(Recall,PrecisionW) 0.878

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

Model 7
 Recall: 0.884
 Precision: 
       all: 0.623  allw: 0.892
        <3: 0.873  <3w: 0.893

 F-measure:(Recall,Precision)  0.731
 F-measure:(Recall,PrecisionW) 0.888

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

Model 8
 Recall: 0.883
 Precision: 
       all: 0.621  allw: 0.884
        <3: 0.874  <3w: 0.895

 F-measure:(Recall,Precision)  0.729
 F-measure:(Recall,PrecisionW) 0.884

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

Model 9
 Recall: 0.879
 Precision: 
       all: 0.609  allw: 0.877
        <3: 0.876  <3w: 0.887

 F-measure:(Recall,Precision)  0.72
 F-measure:(Recall,PrecisionW) 0.878

 F-measure:(0,PrecisionIdeal)  0.934
 F-measure:(0,PrecisionIdealW) 0.94

Model 10
 Recall: 0.887
 Precision: 
       all: 0.617  allw: 0.887
        <3: 0.878  <3w: 0.902

 F-measure:(Recall,Precision)  0.728
 F-measure:(Recall,PrecisionW) 0.887

 F-measure:(0,PrecisionIdeal)  0.935
 F-measure:(0,PrecisionIdealW) 0.949

Model 11
 Recall: 0.886
 Precision: 
       all: 0.621  allw: 0.895
        <3: 0.876  <3w: 0.89

 F-measure:(Recall,Precision)  0.73
 F-measure:(Recall,PrecisionW) 0.891

 F-measure:(0,PrecisionIdeal)  0.934
 F-measure:(0,PrecisionIdealW) 0.942

Model 12
 Recall: 0.889
 Precision: 
       all: 0.619  allw: 0.894
        <3: 0.874  <3w: 0.903

 F-measure:(Recall,Precision)  0.73
 F-measure:(Recall,PrecisionW) 0.891

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

Model 13
 Recall: 0.883
 Precision: 
       all: 0.617  allw: 0.893
        <3: 0.872  <3w: 0.905

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

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

Model 14
 Recall: 0.881
 Precision: 
       all: 0.615  allw: 0.891
        <3: 0.872  <3w: 0.892

 F-measure:(Recall,Precision)  0.724
 F-measure:(Recall,PrecisionW) 0.886

 F-measure:(0,PrecisionIdeal)  0.931
 F-measure:(0,PrecisionIdealW) 0.943

Model 15
 Recall: 0.885
 Precision: 
       all: 0.616  allw: 0.879
        <3: 0.873  <3w: 0.906

 F-measure:(Recall,Precision)  0.727
 F-measure:(Recall,PrecisionW) 0.882

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

Model 16
 Recall: 0.892
 Precision: 
       all: 0.616  allw: 0.897
        <3: 0.87  <3w: 0.88

 F-measure:(Recall,Precision)  0.728
 F-measure:(Recall,PrecisionW) 0.894

 F-measure:(0,PrecisionIdeal)  0.93
 F-measure:(0,PrecisionIdealW) 0.936

Model 17
 Recall: 0.879
 Precision: 
       all: 0.608  allw: 0.877
        <3: 0.878  <3w: 0.897

 F-measure:(Recall,Precision)  0.719
 F-measure:(Recall,PrecisionW) 0.878

 F-measure:(0,PrecisionIdeal)  0.935
 F-measure:(0,PrecisionIdealW) 0.946

Model 18
 Recall: 0.887
 Precision: 
       all: 0.614  allw: 0.894
        <3: 0.879  <3w: 0.906

 F-measure:(Recall,Precision)  0.725
 F-measure:(Recall,PrecisionW) 0.891

 F-measure:(0,PrecisionIdeal)  0.936
 F-measure:(0,PrecisionIdealW) 0.951

Model 19
 Recall: 0.883
 Precision: 
       all: 0.607  allw: 0.888
        <3: 0.877  <3w: 0.909

 F-measure:(Recall,Precision)  0.72
 F-measure:(Recall,PrecisionW) 0.886

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

Model 20
 Recall: 0.881
 Precision: 
       all: 0.618  allw: 0.897
        <3: 0.877  <3w: 0.904

 F-measure:(Recall,Precision)  0.726
 F-measure:(Recall,PrecisionW) 0.889

 F-measure:(0,PrecisionIdeal)  0.935
 F-measure:(0,PrecisionIdealW) 0.95

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: 0.05(13/260) 
Model   1 Inconsistent score: 0.0577(15/260) 
Model   2 Inconsistent score: 0.0731(19/260) 
Model   3 Inconsistent score: 0.0615(16/260) 
Model   4 Inconsistent score: 0.0462(12/260) 
Model   5 Inconsistent score: 0.05(13/260) 
Model   6 Inconsistent score: 0.0654(17/260) 
Model   7 Inconsistent score: 0.0615(16/260) 
Model   8 Inconsistent score: 0.05(13/260) 
Model   9 Inconsistent score: 0.0731(19/260) 
Model  10 Inconsistent score: 0.0846(22/260) 
Model  11 Inconsistent score: 0.0423(11/260) 
Model  12 Inconsistent score: 0.0577(15/260) 
Model  13 Inconsistent score: 0.0615(16/260) 
Model  14 Inconsistent score: 0.0462(12/260) 
Model  15 Inconsistent score: 0.0731(19/260) 
Model  16 Inconsistent score: 0.0577(15/260) 
Model  17 Inconsistent score: 0.0462(12/260) 
Model  18 Inconsistent score: 0.0769(20/260) 
Model  19 Inconsistent score: 0.0731(19/260) 
Model  20 Inconsistent score: 0.0692(18/260) 
Model ave  Missing interactions: 0.607 (438/722)
              weighted: 0.331 (2.26e+05/6.84e+05)
                    <3: 0.312 (10/32)
                   <3w: 0.151 (2e+04/1.32e+05)
Model   1  Missing interactions: 0.626 (485/775)
              weighted: 0.364 (3.53e+05/9.68e+05)
                    <3: 0.312 (10/32)
                   <3w: 0.146 (1.92e+04/1.32e+05)
Model   2  Missing interactions: 0.651 (518/796)
              weighted: 0.405 (3.99e+05/9.84e+05)
                    <3: 0.312 (10/32)
                   <3w: 0.15 (1.99e+04/1.33e+05)
Model   3  Missing interactions: 0.64 (512/800)
              weighted: 0.389 (3.8e+05/9.78e+05)
                    <3: 0.303 (10/33)
                   <3w: 0.15 (1.99e+04/1.33e+05)
Model   4  Missing interactions: 0.64 (531/830)
              weighted: 0.393 (4.09e+05/1.04e+06)
                    <3: 0.222 (6/27)
                   <3w: 0.153 (2.01e+04/1.31e+05)
Model   5  Missing interactions: 0.643 (527/819)
              weighted: 0.385 (3.98e+05/1.04e+06)
                    <3: 0.281 (9/32)
                   <3w: 0.154 (2.08e+04/1.35e+05)
Model   6  Missing interactions: 0.64 (514/803)
              weighted: 0.373 (3.8e+05/1.02e+06)
                    <3: 0.207 (6/29)
                   <3w: 0.157 (2.06e+04/1.32e+05)
Model   7  Missing interactions: 0.626 (484/773)
              weighted: 0.391 (3.79e+05/9.69e+05)
                    <3: 0.241 (7/29)
                   <3w: 0.153 (2.01e+04/1.31e+05)
Model   8  Missing interactions: 0.64 (523/817)
              weighted: 0.377 (3.84e+05/1.02e+06)
                    <3: 0.303 (10/33)
                   <3w: 0.148 (1.97e+04/1.33e+05)
Model   9  Missing interactions: 0.632 (497/787)
              weighted: 0.395 (3.91e+05/9.9e+05)
                    <3: 0.303 (10/33)
                   <3w: 0.147 (1.97e+04/1.34e+05)
Model  10  Missing interactions: 0.646 (514/796)
              weighted: 0.419 (4.18e+05/9.98e+05)
                    <3: 0.233 (7/30)
                   <3w: 0.149 (1.92e+04/1.29e+05)
Model  11  Missing interactions: 0.635 (504/794)
              weighted: 0.39 (3.81e+05/9.78e+05)
                    <3: 0.233 (7/30)
                   <3w: 0.148 (1.92e+04/1.3e+05)
Model  12  Missing interactions: 0.635 (500/788)
              weighted: 0.416 (4.09e+05/9.83e+05)
                    <3: 0.303 (10/33)
                   <3w: 0.146 (1.92e+04/1.32e+05)
Model  13  Missing interactions: 0.642 (525/818)
              weighted: 0.388 (3.87e+05/9.97e+05)
                    <3: 0.312 (10/32)
                   <3w: 0.148 (1.97e+04/1.33e+05)
Model  14  Missing interactions: 0.62 (482/777)
              weighted: 0.372 (3.81e+05/1.02e+06)
                    <3: 0.312 (10/32)
                   <3w: 0.146 (1.92e+04/1.31e+05)
Model  15  Missing interactions: 0.633 (496/783)
              weighted: 0.382 (3.82e+05/1e+06)
                    <3: 0.312 (10/32)
                   <3w: 0.145 (1.92e+04/1.33e+05)
Model  16  Missing interactions: 0.644 (531/824)
              weighted: 0.409 (4.22e+05/1.03e+06)
                    <3: 0.312 (10/32)
                   <3w: 0.148 (1.97e+04/1.33e+05)
Model  17  Missing interactions: 0.635 (511/805)
              weighted: 0.398 (4.12e+05/1.04e+06)
                    <3: 0.207 (6/29)
                   <3w: 0.157 (2.06e+04/1.32e+05)
Model  18  Missing interactions: 0.646 (527/816)
              weighted: 0.426 (4.42e+05/1.04e+06)
                    <3: 0.233 (7/30)
                   <3w: 0.148 (1.9e+04/1.29e+05)
Model  19  Missing interactions: 0.628 (491/782)
              weighted: 0.371 (3.91e+05/1.05e+06)
                    <3: 0.241 (7/29)
                   <3w: 0.147 (1.9e+04/1.29e+05)
Model  20  Missing interactions: 0.635 (495/779)
              weighted: 0.39 (3.99e+05/1.02e+06)
                    <3: 0.233 (7/30)
                   <3w: 0.148 (1.92e+04/1.29e+05)

Model ave
 Recall: 0.95
 Precision: 
       all: 0.393  allw: 0.669
        <3: 0.688  <3w: 0.849

 F-measure:(Recall,Precision)  0.556
 F-measure:(Recall,PrecisionW) 0.785

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

Model 1
 Recall: 0.942
 Precision: 
       all: 0.374  allw: 0.636
        <3: 0.688  <3w: 0.854

 F-measure:(Recall,Precision)  0.536
 F-measure:(Recall,PrecisionW) 0.759

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

Model 2
 Recall: 0.927
 Precision: 
       all: 0.349  allw: 0.595
        <3: 0.688  <3w: 0.85

 F-measure:(Recall,Precision)  0.507
 F-measure:(Recall,PrecisionW) 0.725

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

Model 3
 Recall: 0.938
 Precision: 
       all: 0.36  allw: 0.611
        <3: 0.697  <3w: 0.85

 F-measure:(Recall,Precision)  0.52
 F-measure:(Recall,PrecisionW) 0.74

 F-measure:(0,PrecisionIdeal)  0.821
 F-measure:(0,PrecisionIdealW) 0.919

Model 4
 Recall: 0.954
 Precision: 
       all: 0.36  allw: 0.607
        <3: 0.778  <3w: 0.847

 F-measure:(Recall,Precision)  0.523
 F-measure:(Recall,PrecisionW) 0.742

 F-measure:(0,PrecisionIdeal)  0.875
 F-measure:(0,PrecisionIdealW) 0.917

Model 5
 Recall: 0.95
 Precision: 
       all: 0.357  allw: 0.615
        <3: 0.719  <3w: 0.846

 F-measure:(Recall,Precision)  0.518
 F-measure:(Recall,PrecisionW) 0.747

 F-measure:(0,PrecisionIdeal)  0.836
 F-measure:(0,PrecisionIdealW) 0.917

Model 6
 Recall: 0.935
 Precision: 
       all: 0.36  allw: 0.627
        <3: 0.793  <3w: 0.843

 F-measure:(Recall,Precision)  0.52
 F-measure:(Recall,PrecisionW) 0.751

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

Model 7
 Recall: 0.938
 Precision: 
       all: 0.374  allw: 0.609
        <3: 0.759  <3w: 0.847

 F-measure:(Recall,Precision)  0.535
 F-measure:(Recall,PrecisionW) 0.738

 F-measure:(0,PrecisionIdeal)  0.863
 F-measure:(0,PrecisionIdealW) 0.917

Model 8
 Recall: 0.95
 Precision: 
       all: 0.36  allw: 0.623
        <3: 0.697  <3w: 0.852

 F-measure:(Recall,Precision)  0.522
 F-measure:(Recall,PrecisionW) 0.753

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

Model 9
 Recall: 0.927
 Precision: 
       all: 0.368  allw: 0.605
        <3: 0.697  <3w: 0.853

 F-measure:(Recall,Precision)  0.527
 F-measure:(Recall,PrecisionW) 0.732

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

Model 10
 Recall: 0.915
 Precision: 
       all: 0.354  allw: 0.581
        <3: 0.767  <3w: 0.851

 F-measure:(Recall,Precision)  0.511
 F-measure:(Recall,PrecisionW) 0.711

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

Model 11
 Recall: 0.958
 Precision: 
       all: 0.365  allw: 0.61
        <3: 0.767  <3w: 0.852

 F-measure:(Recall,Precision)  0.529
 F-measure:(Recall,PrecisionW) 0.746

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

Model 12
 Recall: 0.942
 Precision: 
       all: 0.365  allw: 0.584
        <3: 0.697  <3w: 0.854

 F-measure:(Recall,Precision)  0.527
 F-measure:(Recall,PrecisionW) 0.721

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

Model 13
 Recall: 0.938
 Precision: 
       all: 0.358  allw: 0.612
        <3: 0.688  <3w: 0.852

 F-measure:(Recall,Precision)  0.518
 F-measure:(Recall,PrecisionW) 0.741

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

Model 14
 Recall: 0.954
 Precision: 
       all: 0.38  allw: 0.628
        <3: 0.688  <3w: 0.854

 F-measure:(Recall,Precision)  0.543
 F-measure:(Recall,PrecisionW) 0.757

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

Model 15
 Recall: 0.927
 Precision: 
       all: 0.367  allw: 0.618
        <3: 0.688  <3w: 0.855

 F-measure:(Recall,Precision)  0.525
 F-measure:(Recall,PrecisionW) 0.742

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

Model 16
 Recall: 0.942
 Precision: 
       all: 0.356  allw: 0.591
        <3: 0.688  <3w: 0.852

 F-measure:(Recall,Precision)  0.516
 F-measure:(Recall,PrecisionW) 0.726

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

Model 17
 Recall: 0.954
 Precision: 
       all: 0.365  allw: 0.602
        <3: 0.793  <3w: 0.843

 F-measure:(Recall,Precision)  0.528
 F-measure:(Recall,PrecisionW) 0.738

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

Model 18
 Recall: 0.923
 Precision: 
       all: 0.354  allw: 0.574
        <3: 0.767  <3w: 0.852

 F-measure:(Recall,Precision)  0.512
 F-measure:(Recall,PrecisionW) 0.708

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

Model 19
 Recall: 0.927
 Precision: 
       all: 0.372  allw: 0.629
        <3: 0.759  <3w: 0.853

 F-measure:(Recall,Precision)  0.531
 F-measure:(Recall,PrecisionW) 0.749

 F-measure:(0,PrecisionIdeal)  0.863
 F-measure:(0,PrecisionIdealW) 0.921

Model 20
 Recall: 0.931
 Precision: 
       all: 0.365  allw: 0.61
        <3: 0.767  <3w: 0.852

 F-measure:(Recall,Precision)  0.524
 F-measure:(Recall,PrecisionW) 0.737

 F-measure:(0,PrecisionIdeal)  0.868
 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: 0.901157
 Final Precision-score for input query structures: 0.882805

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.890242

 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:      0.892
 F-score of ideal true structures:       0.942
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.834437

Model 1

 Final Recall-score for input query structures: 0.888013
 Final Precision-score for input query structures: 0.834488

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.897747

 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 2

 Final Recall-score for input query structures: 0.890641
 Final Precision-score for input query structures: 0.838218

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.886071

 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:       0.94
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.746667

Model 3

 Final Recall-score for input query structures: 0.89327
 Final Precision-score for input query structures: 0.843977

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.888699

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

 DP-Score: 0.757475

Model 4

 Final Recall-score for input query structures: 0.895373
 Final Precision-score for input query structures: 0.846843

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.89009

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

 DP-Score: 0.76159

Model 5

 Final Recall-score for input query structures: 0.892219
 Final Precision-score for input query structures: 0.839115

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.899597

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

 DP-Score: 0.732899

Model 6

 Final Recall-score for input query structures: 0.888538
 Final Precision-score for input query structures: 0.840225

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.900437

 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 7

 Final Recall-score for input query structures: 0.891167
 Final Precision-score for input query structures: 0.852995

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.88736

 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:       0.94
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.773333

Model 8

 Final Recall-score for input query structures: 0.892219
 Final Precision-score for input query structures: 0.847933

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.889889

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

 DP-Score: 0.76159

Model 9

 Final Recall-score for input query structures: 0.885384
 Final Precision-score for input query structures: 0.839355

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.882933

 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:       0.938
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.744966

Model 10

 Final Recall-score for input query structures: 0.891167
 Final Precision-score for input query structures: 0.844088

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.8959

 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:      0.867
 F-score of ideal true structures:       0.945
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.744262

Model 11

 Final Recall-score for input query structures: 0.895899
 Final Precision-score for input query structures: 0.855831

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.885031

 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: 0.896425
 Final Precision-score for input query structures: 0.850294

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.896437

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

 DP-Score: 0.763935

Model 13

 Final Recall-score for input query structures: 0.890641
 Final Precision-score for input query structures: 0.854199

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.898304

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

 DP-Score: 0.75817

Model 14

 Final Recall-score for input query structures: 0.891167
 Final Precision-score for input query structures: 0.853577

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.887649

 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:       0.94
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.773333

Model 15

 Final Recall-score for input query structures: 0.890641
 Final Precision-score for input query structures: 0.842918

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.899216

 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 16

 Final Recall-score for input query structures: 0.898528
 Final Precision-score for input query structures: 0.852956

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.876329

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

 DP-Score: 0.79932

Model 17

 Final Recall-score for input query structures: 0.88959
 Final Precision-score for input query structures: 0.837793

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.890724

 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:      0.863
 F-score of ideal true structures:       0.942
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.738411

Model 18

 Final Recall-score for input query structures: 0.891693
 Final Precision-score for input query structures: 0.847736

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.899085

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

 DP-Score: 0.745928

Model 19

 Final Recall-score for input query structures: 0.889064
 Final Precision-score for input query structures: 0.851089

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.902221

 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:       0.949
 F-score of freely-rotating-chain model: 0.64

 DP-Score: 0.744337

Model 20

 Final Recall-score for input query structures: 0.887487
 Final Precision-score for input query structures: 0.855617

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.897667

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

 DP-Score: 0.754902

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

NOESY_Assign:
      User CPU Time:         20 sec.
      Syst CPU Time:       0.38 sec.
Other Processes:
      User CPU Time:       0.46 sec.
      Syst CPU Time:       0.04 sec.

Total Elapsed Time:       20.9 sec.