# created by  ASDP Version 1.0 Copyright(C) 2010
# Sat May 11 01:05:44 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/STR65_R3_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q STR65_R3_em_bcr3.pdb.iupac 


# Summary for n.peaks
Total simulated peaks: 153 Number of peaks NOT matched in the Peak List: 9
M score = 0.059

Average shift in HX: 0.0016 Average ab-shift in HX: 0.0056(Assignment used: 101)
Average shift in X: 0.077 Average ab-shift in X: 0.084(Assignment used: 97)
Average shift in HX2: -0.0034 Average ab-shift in HX2: 0.008(Assignment used: 120)

#For peaklist n.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.025(22/879) 
Model   1 Inconsistent score: 0.0228(20/879) 
Model   2 Inconsistent score: 0.0205(18/879) 
Model   3 Inconsistent score: 0.0216(19/879) 
Model   4 Inconsistent score: 0.0262(23/879) 
Model   5 Inconsistent score: 0.0171(15/879) 
Model   6 Inconsistent score: 0.0159(14/879) 
Model   7 Inconsistent score: 0.0216(19/879) 
Model   8 Inconsistent score: 0.0159(14/879) 
Model   9 Inconsistent score: 0.0159(14/879) 
Model  10 Inconsistent score: 0.0216(19/879) 
Model  11 Inconsistent score: 0.0228(20/879) 
Model  12 Inconsistent score: 0.0137(12/879) 
Model  13 Inconsistent score: 0.0182(16/879) 
Model  14 Inconsistent score: 0.0193(17/879) 
Model  15 Inconsistent score: 0.0182(16/879) 
Model  16 Inconsistent score: 0.0182(16/879) 
Model  17 Inconsistent score: 0.0171(15/879) 
Model  18 Inconsistent score: 0.0159(14/879) 
Model  19 Inconsistent score: 0.0216(19/879) 
Model  20 Inconsistent score: 0.0171(15/879) 
Model ave  Missing interactions: 0.415 (599/1444)
              weighted: 0.0906 (2.96e+05/3.26e+06)
                    <3: 0.0467 (7/150)
                   <3w: 0.0232 (2.22e+04/9.59e+05)
Model   1  Missing interactions: 0.455 (736/1618)
              weighted: 0.111 (4.65e+05/4.18e+06)
                    <3: 0.0455 (7/154)
                   <3w: 0.0194 (1.8e+04/9.29e+05)
Model   2  Missing interactions: 0.451 (745/1651)
              weighted: 0.108 (4.5e+05/4.18e+06)
                    <3: 0.0461 (7/152)
                   <3w: 0.0291 (2.86e+04/9.83e+05)
Model   3  Missing interactions: 0.465 (773/1662)
              weighted: 0.149 (6.39e+05/4.28e+06)
                    <3: 0.0449 (7/156)
                   <3w: 0.0173 (1.67e+04/9.65e+05)
Model   4  Missing interactions: 0.457 (757/1656)
              weighted: 0.122 (5.19e+05/4.24e+06)
                    <3: 0.0449 (7/156)
                   <3w: 0.0174 (1.63e+04/9.39e+05)
Model   5  Missing interactions: 0.449 (736/1638)
              weighted: 0.123 (5.07e+05/4.12e+06)
                    <3: 0.0458 (7/153)
                   <3w: 0.0272 (2.69e+04/9.9e+05)
Model   6  Missing interactions: 0.454 (754/1662)
              weighted: 0.119 (4.81e+05/4.04e+06)
                    <3: 0.0397 (6/151)
                   <3w: 0.0167 (1.55e+04/9.26e+05)
Model   7  Missing interactions: 0.458 (751/1641)
              weighted: 0.147 (6.3e+05/4.3e+06)
                    <3: 0.0452 (7/155)
                   <3w: 0.027 (2.82e+04/1.04e+06)
Model   8  Missing interactions: 0.443 (722/1629)
              weighted: 0.133 (5.43e+05/4.09e+06)
                    <3: 0.039 (6/154)
                   <3w: 0.016 (1.55e+04/9.65e+05)
Model   9  Missing interactions: 0.462 (781/1691)
              weighted: 0.126 (5.06e+05/4.01e+06)
                    <3: 0.0443 (7/158)
                   <3w: 0.0173 (1.62e+04/9.37e+05)
Model  10  Missing interactions: 0.446 (729/1635)
              weighted: 0.116 (4.76e+05/4.11e+06)
                    <3: 0.0387 (6/155)
                   <3w: 0.0169 (1.6e+04/9.46e+05)
Model  11  Missing interactions: 0.45 (746/1659)
              weighted: 0.118 (4.81e+05/4.06e+06)
                    <3: 0.0455 (7/154)
                   <3w: 0.0192 (1.82e+04/9.49e+05)
Model  12  Missing interactions: 0.457 (754/1650)
              weighted: 0.123 (5.02e+05/4.07e+06)
                    <3: 0.04 (6/150)
                   <3w: 0.028 (2.73e+04/9.74e+05)
Model  13  Missing interactions: 0.454 (756/1665)
              weighted: 0.15 (6.42e+05/4.28e+06)
                    <3: 0.0461 (7/152)
                   <3w: 0.0163 (1.59e+04/9.77e+05)
Model  14  Missing interactions: 0.458 (760/1661)
              weighted: 0.129 (5.51e+05/4.25e+06)
                    <3: 0.044 (7/159)
                   <3w: 0.0286 (2.75e+04/9.6e+05)
Model  15  Missing interactions: 0.457 (752/1644)
              weighted: 0.116 (4.82e+05/4.16e+06)
                    <3: 0.0387 (6/155)
                   <3w: 0.0161 (1.57e+04/9.76e+05)
Model  16  Missing interactions: 0.447 (743/1661)
              weighted: 0.136 (5.57e+05/4.08e+06)
                    <3: 0.0449 (7/156)
                   <3w: 0.0281 (2.66e+04/9.46e+05)
Model  17  Missing interactions: 0.461 (781/1693)
              weighted: 0.141 (6.18e+05/4.38e+06)
                    <3: 0.0392 (6/153)
                   <3w: 0.0288 (2.74e+04/9.51e+05)
Model  18  Missing interactions: 0.454 (751/1653)
              weighted: 0.123 (5e+05/4.05e+06)
                    <3: 0.0392 (6/153)
                   <3w: 0.0281 (2.67e+04/9.47e+05)
Model  19  Missing interactions: 0.46 (773/1681)
              weighted: 0.145 (6.27e+05/4.33e+06)
                    <3: 0.0392 (6/153)
                   <3w: 0.0163 (1.56e+04/9.54e+05)
Model  20  Missing interactions: 0.454 (751/1653)
              weighted: 0.127 (5.27e+05/4.15e+06)
                    <3: 0.0397 (6/151)
                   <3w: 0.0291 (2.76e+04/9.46e+05)

Model ave
 Recall: 0.975
 Precision: 
       all: 0.585  allw: 0.909
        <3: 0.953  <3w: 0.977

 F-measure:(Recall,Precision)  0.731
 F-measure:(Recall,PrecisionW) 0.941

 F-measure:(0,PrecisionIdeal)  0.976
 F-measure:(0,PrecisionIdealW) 0.988

Model 1
 Recall: 0.977
 Precision: 
       all: 0.545  allw: 0.889
        <3: 0.955  <3w: 0.981

 F-measure:(Recall,Precision)  0.7
 F-measure:(Recall,PrecisionW) 0.931

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.99

Model 2
 Recall: 0.98
 Precision: 
       all: 0.549  allw: 0.892
        <3: 0.954  <3w: 0.971

 F-measure:(Recall,Precision)  0.703
 F-measure:(Recall,PrecisionW) 0.934

 F-measure:(0,PrecisionIdeal)  0.976
 F-measure:(0,PrecisionIdealW) 0.985

Model 3
 Recall: 0.978
 Precision: 
       all: 0.535  allw: 0.851
        <3: 0.955  <3w: 0.983

 F-measure:(Recall,Precision)  0.692
 F-measure:(Recall,PrecisionW) 0.91

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.991

Model 4
 Recall: 0.974
 Precision: 
       all: 0.543  allw: 0.878
        <3: 0.955  <3w: 0.983

 F-measure:(Recall,Precision)  0.697
 F-measure:(Recall,PrecisionW) 0.923

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.991

Model 5
 Recall: 0.983
 Precision: 
       all: 0.551  allw: 0.877
        <3: 0.954  <3w: 0.973

 F-measure:(Recall,Precision)  0.706
 F-measure:(Recall,PrecisionW) 0.927

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.986

Model 6
 Recall: 0.984
 Precision: 
       all: 0.546  allw: 0.881
        <3: 0.96  <3w: 0.983

 F-measure:(Recall,Precision)  0.703
 F-measure:(Recall,PrecisionW) 0.93

 F-measure:(0,PrecisionIdeal)  0.98
 F-measure:(0,PrecisionIdealW) 0.992

Model 7
 Recall: 0.978
 Precision: 
       all: 0.542  allw: 0.853
        <3: 0.955  <3w: 0.973

 F-measure:(Recall,Precision)  0.698
 F-measure:(Recall,PrecisionW) 0.912

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.986

Model 8
 Recall: 0.984
 Precision: 
       all: 0.557  allw: 0.867
        <3: 0.961  <3w: 0.984

 F-measure:(Recall,Precision)  0.711
 F-measure:(Recall,PrecisionW) 0.922

 F-measure:(0,PrecisionIdeal)  0.98
 F-measure:(0,PrecisionIdealW) 0.992

Model 9
 Recall: 0.984
 Precision: 
       all: 0.538  allw: 0.874
        <3: 0.956  <3w: 0.983

 F-measure:(Recall,Precision)  0.696
 F-measure:(Recall,PrecisionW) 0.926

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.991

Model 10
 Recall: 0.978
 Precision: 
       all: 0.554  allw: 0.884
        <3: 0.961  <3w: 0.983

 F-measure:(Recall,Precision)  0.708
 F-measure:(Recall,PrecisionW) 0.929

 F-measure:(0,PrecisionIdeal)  0.98
 F-measure:(0,PrecisionIdealW) 0.991

Model 11
 Recall: 0.977
 Precision: 
       all: 0.55  allw: 0.882
        <3: 0.955  <3w: 0.981

 F-measure:(Recall,Precision)  0.704
 F-measure:(Recall,PrecisionW) 0.927

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.99

Model 12
 Recall: 0.986
 Precision: 
       all: 0.543  allw: 0.877
        <3: 0.96  <3w: 0.972

 F-measure:(Recall,Precision)  0.7
 F-measure:(Recall,PrecisionW) 0.928

 F-measure:(0,PrecisionIdeal)  0.98
 F-measure:(0,PrecisionIdealW) 0.986

Model 13
 Recall: 0.982
 Precision: 
       all: 0.546  allw: 0.85
        <3: 0.954  <3w: 0.984

 F-measure:(Recall,Precision)  0.702
 F-measure:(Recall,PrecisionW) 0.911

 F-measure:(0,PrecisionIdeal)  0.976
 F-measure:(0,PrecisionIdealW) 0.992

Model 14
 Recall: 0.981
 Precision: 
       all: 0.542  allw: 0.871
        <3: 0.956  <3w: 0.971

 F-measure:(Recall,Precision)  0.699
 F-measure:(Recall,PrecisionW) 0.922

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.985

Model 15
 Recall: 0.982
 Precision: 
       all: 0.543  allw: 0.884
        <3: 0.961  <3w: 0.984

 F-measure:(Recall,Precision)  0.699
 F-measure:(Recall,PrecisionW) 0.93

 F-measure:(0,PrecisionIdeal)  0.98
 F-measure:(0,PrecisionIdealW) 0.992

Model 16
 Recall: 0.982
 Precision: 
       all: 0.553  allw: 0.864
        <3: 0.955  <3w: 0.972

 F-measure:(Recall,Precision)  0.707
 F-measure:(Recall,PrecisionW) 0.919

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.986

Model 17
 Recall: 0.983
 Precision: 
       all: 0.539  allw: 0.859
        <3: 0.961  <3w: 0.971

 F-measure:(Recall,Precision)  0.696
 F-measure:(Recall,PrecisionW) 0.917

 F-measure:(0,PrecisionIdeal)  0.98
 F-measure:(0,PrecisionIdealW) 0.985

Model 18
 Recall: 0.984
 Precision: 
       all: 0.546  allw: 0.877
        <3: 0.961  <3w: 0.972

 F-measure:(Recall,Precision)  0.702
 F-measure:(Recall,PrecisionW) 0.927

 F-measure:(0,PrecisionIdeal)  0.98
 F-measure:(0,PrecisionIdealW) 0.986

Model 19
 Recall: 0.978
 Precision: 
       all: 0.54  allw: 0.855
        <3: 0.961  <3w: 0.984

 F-measure:(Recall,Precision)  0.696
 F-measure:(Recall,PrecisionW) 0.913

 F-measure:(0,PrecisionIdeal)  0.98
 F-measure:(0,PrecisionIdealW) 0.992

Model 20
 Recall: 0.983
 Precision: 
       all: 0.546  allw: 0.873
        <3: 0.96  <3w: 0.971

 F-measure:(Recall,Precision)  0.702
 F-measure:(Recall,PrecisionW) 0.925

 F-measure:(0,PrecisionIdeal)  0.98
 F-measure:(0,PrecisionIdealW) 0.985

For freely-rotating-chain model:
Model ave Inconsistent score: 0.221(194/879) 
Model ave  Missing interactions: 0.256 (197/771)
              weighted: 0.121 (5.5e+04/4.54e+05)
                    <3: 0.0649 (10/154)
                   <3w: 0.0569 (1.45e+04/2.55e+05)

 Recall: 0.779
 Precision: 
       all: 0.744  allw: 0.879

 F-measure:(RecallFree,PrecisionFree)  0.761
 F-measure:(ReallFree,PrecisionFreeW) 0.826

# Summary for c_aro.peaks
Total simulated peaks: 18 Number of peaks NOT matched in the Peak List: 0
M score = 0

Average shift in HX: 0.0042 Average ab-shift in HX: 0.0052(Assignment used: 10)
Average shift in X: -0.01 Average ab-shift in X: 0.057(Assignment used: 10)
Average shift in HX2: -0.0032 Average ab-shift in HX2: 0.0069(Assignment used: 18)

#For peaklist c_aro.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.161(41/255) 
Model   1 Inconsistent score: 0.0588(15/255) 
Model   2 Inconsistent score: 0.0314(8/255) 
Model   3 Inconsistent score: 0.0824(21/255) 
Model   4 Inconsistent score: 0.0471(12/255) 
Model   5 Inconsistent score: 0.0824(21/255) 
Model   6 Inconsistent score: 0.051(13/255) 
Model   7 Inconsistent score: 0.102(26/255) 
Model   8 Inconsistent score: 0.0314(8/255) 
Model   9 Inconsistent score: 0.0392(10/255) 
Model  10 Inconsistent score: 0.0667(17/255) 
Model  11 Inconsistent score: 0.0471(12/255) 
Model  12 Inconsistent score: 0.0667(17/255) 
Model  13 Inconsistent score: 0.0471(12/255) 
Model  14 Inconsistent score: 0.0392(10/255) 
Model  15 Inconsistent score: 0.0392(10/255) 
Model  16 Inconsistent score: 0.0627(16/255) 
Model  17 Inconsistent score: 0.0745(19/255) 
Model  18 Inconsistent score: 0.0392(10/255) 
Model  19 Inconsistent score: 0.0549(14/255) 
Model  20 Inconsistent score: 0.157(40/255) 
Model ave  Missing interactions: 0.443 (133/300)
              weighted: 0.133 (3.47e+04/2.6e+05)
                    <3: 0.357 (10/28)
                   <3w: 0.133 (1.03e+04/7.74e+04)
Model   1  Missing interactions: 0.532 (247/464)
              weighted: 0.266 (1.59e+05/5.95e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.135 (1.04e+04/7.73e+04)
Model   2  Missing interactions: 0.51 (235/461)
              weighted: 0.225 (1.31e+05/5.83e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.136 (1.04e+04/7.7e+04)
Model   3  Missing interactions: 0.532 (254/477)
              weighted: 0.199 (1.36e+05/6.82e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.136 (1.04e+04/7.7e+04)
Model   4  Missing interactions: 0.524 (247/471)
              weighted: 0.216 (1.45e+05/6.7e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.134 (1.04e+04/7.76e+04)
Model   5  Missing interactions: 0.543 (248/457)
              weighted: 0.23 (1.28e+05/5.56e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.133 (1.02e+04/7.68e+04)
Model   6  Missing interactions: 0.502 (241/480)
              weighted: 0.165 (1e+05/6.07e+05)
                    <3: 0.308 (8/26)
                   <3w: 0.13 (1.03e+04/7.9e+04)
Model   7  Missing interactions: 0.534 (222/416)
              weighted: 0.248 (1.24e+05/5.01e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.136 (1.04e+04/7.7e+04)
Model   8  Missing interactions: 0.498 (231/464)
              weighted: 0.199 (1.37e+05/6.85e+05)
                    <3: 0.308 (8/26)
                   <3w: 0.13 (1.03e+04/7.91e+04)
Model   9  Missing interactions: 0.512 (246/480)
              weighted: 0.189 (1.27e+05/6.69e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.132 (1.02e+04/7.74e+04)
Model  10  Missing interactions: 0.525 (239/455)
              weighted: 0.25 (1.64e+05/6.57e+05)
                    <3: 0.296 (8/27)
                   <3w: 0.128 (1.01e+04/7.84e+04)
Model  11  Missing interactions: 0.516 (235/455)
              weighted: 0.176 (1.02e+05/5.77e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.133 (1.02e+04/7.69e+04)
Model  12  Missing interactions: 0.54 (255/472)
              weighted: 0.246 (1.68e+05/6.82e+05)
                    <3: 0.308 (8/26)
                   <3w: 0.129 (1.01e+04/7.8e+04)
Model  13  Missing interactions: 0.533 (259/486)
              weighted: 0.184 (1.26e+05/6.83e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.135 (1.04e+04/7.76e+04)
Model  14  Missing interactions: 0.501 (246/491)
              weighted: 0.19 (1.28e+05/6.77e+05)
                    <3: 0.333 (10/30)
                   <3w: 0.135 (1.04e+04/7.71e+04)
Model  15  Missing interactions: 0.523 (248/474)
              weighted: 0.242 (1.62e+05/6.68e+05)
                    <3: 0.308 (8/26)
                   <3w: 0.13 (1.03e+04/7.89e+04)
Model  16  Missing interactions: 0.524 (252/481)
              weighted: 0.231 (1.43e+05/6.22e+05)
                    <3: 0.333 (10/30)
                   <3w: 0.135 (1.04e+04/7.74e+04)
Model  17  Missing interactions: 0.518 (239/461)
              weighted: 0.198 (1.21e+05/6.1e+05)
                    <3: 0.296 (8/27)
                   <3w: 0.128 (1.01e+04/7.85e+04)
Model  18  Missing interactions: 0.499 (221/443)
              weighted: 0.18 (1.02e+05/5.68e+05)
                    <3: 0.308 (8/26)
                   <3w: 0.129 (1.01e+04/7.8e+04)
Model  19  Missing interactions: 0.518 (246/475)
              weighted: 0.266 (1.75e+05/6.56e+05)
                    <3: 0.308 (8/26)
                   <3w: 0.131 (1.03e+04/7.84e+04)
Model  20  Missing interactions: 0.546 (236/432)
              weighted: 0.215 (1.23e+05/5.72e+05)
                    <3: 0.32 (8/25)
                   <3w: 0.132 (1.03e+04/7.82e+04)

Model ave
 Recall: 0.839
 Precision: 
       all: 0.557  allw: 0.867
        <3: 0.643  <3w: 0.867

 F-measure:(Recall,Precision)  0.669
 F-measure:(Recall,PrecisionW) 0.853

 F-measure:(0,PrecisionIdeal)  0.783
 F-measure:(0,PrecisionIdealW) 0.929

Model 1
 Recall: 0.941
 Precision: 
       all: 0.468  allw: 0.734
        <3: 0.655  <3w: 0.865

 F-measure:(Recall,Precision)  0.625
 F-measure:(Recall,PrecisionW) 0.824

 F-measure:(0,PrecisionIdeal)  0.792
 F-measure:(0,PrecisionIdealW) 0.928

Model 2
 Recall: 0.969
 Precision: 
       all: 0.49  allw: 0.775
        <3: 0.655  <3w: 0.864

 F-measure:(Recall,Precision)  0.651
 F-measure:(Recall,PrecisionW) 0.861

 F-measure:(0,PrecisionIdeal)  0.792
 F-measure:(0,PrecisionIdealW) 0.927

Model 3
 Recall: 0.918
 Precision: 
       all: 0.468  allw: 0.801
        <3: 0.655  <3w: 0.864

 F-measure:(Recall,Precision)  0.619
 F-measure:(Recall,PrecisionW) 0.855

 F-measure:(0,PrecisionIdeal)  0.792
 F-measure:(0,PrecisionIdealW) 0.927

Model 4
 Recall: 0.953
 Precision: 
       all: 0.476  allw: 0.784
        <3: 0.655  <3w: 0.866

 F-measure:(Recall,Precision)  0.635
 F-measure:(Recall,PrecisionW) 0.86

 F-measure:(0,PrecisionIdeal)  0.792
 F-measure:(0,PrecisionIdealW) 0.928

Model 5
 Recall: 0.918
 Precision: 
       all: 0.457  allw: 0.77
        <3: 0.655  <3w: 0.867

 F-measure:(Recall,Precision)  0.61
 F-measure:(Recall,PrecisionW) 0.837

 F-measure:(0,PrecisionIdeal)  0.792
 F-measure:(0,PrecisionIdealW) 0.929

Model 6
 Recall: 0.949
 Precision: 
       all: 0.498  allw: 0.835
        <3: 0.692  <3w: 0.87

 F-measure:(Recall,Precision)  0.653
 F-measure:(Recall,PrecisionW) 0.889

 F-measure:(0,PrecisionIdeal)  0.818
 F-measure:(0,PrecisionIdealW) 0.93

Model 7
 Recall: 0.898
 Precision: 
       all: 0.466  allw: 0.752
        <3: 0.655  <3w: 0.864

 F-measure:(Recall,Precision)  0.614
 F-measure:(Recall,PrecisionW) 0.819

 F-measure:(0,PrecisionIdeal)  0.792
 F-measure:(0,PrecisionIdealW) 0.927

Model 8
 Recall: 0.969
 Precision: 
       all: 0.502  allw: 0.801
        <3: 0.692  <3w: 0.87

 F-measure:(Recall,Precision)  0.661
 F-measure:(Recall,PrecisionW) 0.877

 F-measure:(0,PrecisionIdeal)  0.818
 F-measure:(0,PrecisionIdealW) 0.93

Model 9
 Recall: 0.961
 Precision: 
       all: 0.488  allw: 0.811
        <3: 0.655  <3w: 0.868

 F-measure:(Recall,Precision)  0.647
 F-measure:(Recall,PrecisionW) 0.879

 F-measure:(0,PrecisionIdeal)  0.792
 F-measure:(0,PrecisionIdealW) 0.929

Model 10
 Recall: 0.933
 Precision: 
       all: 0.475  allw: 0.75
        <3: 0.704  <3w: 0.872

 F-measure:(Recall,Precision)  0.629
 F-measure:(Recall,PrecisionW) 0.832

 F-measure:(0,PrecisionIdeal)  0.826
 F-measure:(0,PrecisionIdealW) 0.931

Model 11
 Recall: 0.953
 Precision: 
       all: 0.484  allw: 0.824
        <3: 0.655  <3w: 0.867

 F-measure:(Recall,Precision)  0.642
 F-measure:(Recall,PrecisionW) 0.884

 F-measure:(0,PrecisionIdeal)  0.792
 F-measure:(0,PrecisionIdealW) 0.929

Model 12
 Recall: 0.933
 Precision: 
       all: 0.46  allw: 0.754
        <3: 0.692  <3w: 0.871

 F-measure:(Recall,Precision)  0.616
 F-measure:(Recall,PrecisionW) 0.834

 F-measure:(0,PrecisionIdeal)  0.818
 F-measure:(0,PrecisionIdealW) 0.931

Model 13
 Recall: 0.953
 Precision: 
       all: 0.467  allw: 0.816
        <3: 0.655  <3w: 0.865

 F-measure:(Recall,Precision)  0.627
 F-measure:(Recall,PrecisionW) 0.879

 F-measure:(0,PrecisionIdeal)  0.792
 F-measure:(0,PrecisionIdealW) 0.928

Model 14
 Recall: 0.961
 Precision: 
       all: 0.499  allw: 0.81
        <3: 0.667  <3w: 0.865

 F-measure:(Recall,Precision)  0.657
 F-measure:(Recall,PrecisionW) 0.879

 F-measure:(0,PrecisionIdeal)  0.8
 F-measure:(0,PrecisionIdealW) 0.927

Model 15
 Recall: 0.961
 Precision: 
       all: 0.477  allw: 0.758
        <3: 0.692  <3w: 0.87

 F-measure:(Recall,Precision)  0.637
 F-measure:(Recall,PrecisionW) 0.847

 F-measure:(0,PrecisionIdeal)  0.818
 F-measure:(0,PrecisionIdealW) 0.93

Model 16
 Recall: 0.937
 Precision: 
       all: 0.476  allw: 0.769
        <3: 0.667  <3w: 0.865

 F-measure:(Recall,Precision)  0.631
 F-measure:(Recall,PrecisionW) 0.845

 F-measure:(0,PrecisionIdeal)  0.8
 F-measure:(0,PrecisionIdealW) 0.928

Model 17
 Recall: 0.925
 Precision: 
       all: 0.482  allw: 0.802
        <3: 0.704  <3w: 0.872

 F-measure:(Recall,Precision)  0.633
 F-measure:(Recall,PrecisionW) 0.859

 F-measure:(0,PrecisionIdeal)  0.826
 F-measure:(0,PrecisionIdealW) 0.931

Model 18
 Recall: 0.961
 Precision: 
       all: 0.501  allw: 0.82
        <3: 0.692  <3w: 0.871

 F-measure:(Recall,Precision)  0.659
 F-measure:(Recall,PrecisionW) 0.885

 F-measure:(0,PrecisionIdeal)  0.818
 F-measure:(0,PrecisionIdealW) 0.931

Model 19
 Recall: 0.945
 Precision: 
       all: 0.482  allw: 0.734
        <3: 0.692  <3w: 0.869

 F-measure:(Recall,Precision)  0.639
 F-measure:(Recall,PrecisionW) 0.826

 F-measure:(0,PrecisionIdeal)  0.818
 F-measure:(0,PrecisionIdealW) 0.93

Model 20
 Recall: 0.843
 Precision: 
       all: 0.454  allw: 0.785
        <3: 0.68  <3w: 0.868

 F-measure:(Recall,Precision)  0.59
 F-measure:(Recall,PrecisionW) 0.813

 F-measure:(0,PrecisionIdeal)  0.81
 F-measure:(0,PrecisionIdealW) 0.93

For freely-rotating-chain model:
Model ave Inconsistent score: 0.612(156/255) 
Model ave  Missing interactions: 0.34 (32/94)
              weighted: 0.545 (3.22e+04/5.91e+04)
                    <3: 0.444 (16/36)
                   <3w: 0.609 (3.09e+04/5.07e+04)

 Recall: 0.388
 Precision: 
       all: 0.66  allw: 0.455

 F-measure:(RecallFree,PrecisionFree)  0.489
 F-measure:(ReallFree,PrecisionFreeW) 0.419

# Summary for c_ali.peaks
Total simulated peaks: 785 Number of peaks NOT matched in the Peak List: 479
M score = 0.61

Average shift in HX: -0.0039 Average ab-shift in HX: 0.0055(Assignment used: 154)
Average shift in X: 0.00026 Average ab-shift in X: 0.05(Assignment used: 98)
Average shift in HX2: -0.0023 Average ab-shift in HX2: 0.0078(Assignment used: 198)
Input error: M-score > 0.5


 Final M-score 0.0526316 9/171

Model ave

 Final Recall-score for input query structures: 0.944444
 Final Precision-score for input query structures: 0.906255

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.968622

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.925
 F-score of ideal true structures:       0.984
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.743478

Model 1

 Final Recall-score for input query structures: 0.969136
 Final Precision-score for input query structures: 0.869495

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.971702

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.917
 F-score of ideal true structures:       0.986
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.702586

Model 2

 Final Recall-score for input query structures: 0.977072
 Final Precision-score for input query structures: 0.877979

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.963172

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.925
 F-score of ideal true structures:       0.981
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.753304

Model 3

 Final Recall-score for input query structures: 0.964727
 Final Precision-score for input query structures: 0.843857

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.974005

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.9
 F-score of ideal true structures:       0.987
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.626609

Model 4

 Final Recall-score for input query structures: 0.969136
 Final Precision-score for input query structures: 0.864717

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.973697

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.914
 F-score of ideal true structures:       0.987
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.686695

Model 5

 Final Recall-score for input query structures: 0.968254
 Final Precision-score for input query structures: 0.864306

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.965207

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.913
 F-score of ideal true structures:       0.982
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.697368

Model 6

 Final Recall-score for input query structures: 0.97619
 Final Precision-score for input query structures: 0.875049

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.974353

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.923
 F-score of ideal true structures:       0.987
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.725322

Model 7

 Final Recall-score for input query structures: 0.960317
 Final Precision-score for input query structures: 0.842709

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.965492

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.898
 F-score of ideal true structures:       0.982
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.631579

Model 8

 Final Recall-score for input query structures: 0.9806
 Final Precision-score for input query structures: 0.857711

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.975336

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.915
 F-score of ideal true structures:       0.988
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.688034

Model 9

 Final Recall-score for input query structures: 0.978836
 Final Precision-score for input query structures: 0.864712

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.973905

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.918
 F-score of ideal true structures:       0.987
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.703863

Model 10

 Final Recall-score for input query structures: 0.968254
 Final Precision-score for input query structures: 0.86567

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.974589

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.914
 F-score of ideal true structures:       0.987
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.686695

Model 11

 Final Recall-score for input query structures: 0.971781
 Final Precision-score for input query structures: 0.874512

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.972276

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.921
 F-score of ideal true structures:       0.986
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.719828

Model 12

 Final Recall-score for input query structures: 0.974427
 Final Precision-score for input query structures: 0.859063

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.964476

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.913
 F-score of ideal true structures:       0.982
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.697368

Model 13

 Final Recall-score for input query structures: 0.975309
 Final Precision-score for input query structures: 0.845158

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.975001

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.906
 F-score of ideal true structures:       0.987
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.652361

Model 14

 Final Recall-score for input query structures: 0.97619
 Final Precision-score for input query structures: 0.862225

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.96341

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.916
 F-score of ideal true structures:       0.981
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.713656

Model 15

 Final Recall-score for input query structures: 0.977072
 Final Precision-score for input query structures: 0.866763

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.975324

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.919
 F-score of ideal true structures:       0.988
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.705128

Model 16

 Final Recall-score for input query structures: 0.971781
 Final Precision-score for input query structures: 0.851154

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.963781

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.907
 F-score of ideal true structures:       0.982
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.671053

Model 17

 Final Recall-score for input query structures: 0.970018
 Final Precision-score for input query structures: 0.851889

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.963646

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.907
 F-score of ideal true structures:       0.981
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.674009

Model 18

 Final Recall-score for input query structures: 0.978836
 Final Precision-score for input query structures: 0.869569

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.964183

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.921
 F-score of ideal true structures:       0.982
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.732456

Model 19

 Final Recall-score for input query structures: 0.970899
 Final Precision-score for input query structures: 0.839139

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.974962

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.9
 F-score of ideal true structures:       0.987
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.626609

Model 20

 Final Recall-score for input query structures: 0.951499
 Final Precision-score for input query structures: 0.862247

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.96304

 Final Recall-score for freely-rotating-chain model: 0.691358
 Final Precision-score for freely-rotating-chain model: 0.83011

 Summary:
 F-score of input query structures:      0.905
 F-score of ideal true structures:       0.981
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.665198

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

NOESY_Assign:
      User CPU Time:       13.8 sec.
      Syst CPU Time:       0.26 sec.
Other Processes:
      User CPU Time:       0.33 sec.
      Syst CPU Time:       0.03 sec.

Total Elapsed Time:       14.4 sec.