# created by  ASDP Version 1.0 Copyright(C) 2010
# Sat May 11 01:32:43 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/STR65_NMR_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q STR65_NMR_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: 0.0137(12/879) 
Model   1 Inconsistent score: 0.0137(12/879) 
Model   2 Inconsistent score: 0.0148(13/879) 
Model   3 Inconsistent score: 0.0148(13/879) 
Model   4 Inconsistent score: 0.0182(16/879) 
Model   5 Inconsistent score: 0.0125(11/879) 
Model   6 Inconsistent score: 0.0159(14/879) 
Model   7 Inconsistent score: 0.0148(13/879) 
Model   8 Inconsistent score: 0.0182(16/879) 
Model   9 Inconsistent score: 0.0137(12/879) 
Model  10 Inconsistent score: 0.0159(14/879) 
Model  11 Inconsistent score: 0.0148(13/879) 
Model  12 Inconsistent score: 0.0205(18/879) 
Model  13 Inconsistent score: 0.0193(17/879) 
Model  14 Inconsistent score: 0.0205(18/879) 
Model  15 Inconsistent score: 0.0182(16/879) 
Model  16 Inconsistent score: 0.0148(13/879) 
Model  17 Inconsistent score: 0.0171(15/879) 
Model  18 Inconsistent score: 0.0114(10/879) 
Model  19 Inconsistent score: 0.0205(18/879) 
Model  20 Inconsistent score: 0.0159(14/879) 
Model ave  Missing interactions: 0.43 (639/1487)
              weighted: 0.096 (3.13e+05/3.26e+06)
                    <3: 0.0458 (7/153)
                   <3w: 0.0228 (2.26e+04/9.91e+05)
Model   1  Missing interactions: 0.448 (728/1625)
              weighted: 0.137 (5.83e+05/4.26e+06)
                    <3: 0.0449 (7/156)
                   <3w: 0.0162 (1.64e+04/1.01e+06)
Model   2  Missing interactions: 0.45 (722/1603)
              weighted: 0.123 (5.26e+05/4.28e+06)
                    <3: 0.0461 (7/152)
                   <3w: 0.0174 (1.73e+04/9.95e+05)
Model   3  Missing interactions: 0.444 (715/1612)
              weighted: 0.123 (5.26e+05/4.27e+06)
                    <3: 0.0432 (7/162)
                   <3w: 0.0177 (1.79e+04/1.01e+06)
Model   4  Missing interactions: 0.451 (709/1571)
              weighted: 0.123 (5.24e+05/4.28e+06)
                    <3: 0.0458 (7/153)
                   <3w: 0.027 (2.79e+04/1.03e+06)
Model   5  Missing interactions: 0.454 (719/1584)
              weighted: 0.122 (5.03e+05/4.11e+06)
                    <3: 0.0449 (7/156)
                   <3w: 0.0275 (2.84e+04/1.03e+06)
Model   6  Missing interactions: 0.45 (725/1610)
              weighted: 0.147 (6.23e+05/4.25e+06)
                    <3: 0.0455 (7/154)
                   <3w: 0.0163 (1.64e+04/1.01e+06)
Model   7  Missing interactions: 0.445 (716/1609)
              weighted: 0.136 (5.88e+05/4.32e+06)
                    <3: 0.044 (7/159)
                   <3w: 0.0263 (2.83e+04/1.08e+06)
Model   8  Missing interactions: 0.455 (726/1596)
              weighted: 0.12 (5.24e+05/4.35e+06)
                    <3: 0.0452 (7/155)
                   <3w: 0.0158 (1.62e+04/1.03e+06)
Model   9  Missing interactions: 0.444 (700/1576)
              weighted: 0.115 (4.86e+05/4.24e+06)
                    <3: 0.0446 (7/157)
                   <3w: 0.0268 (2.79e+04/1.04e+06)
Model  10  Missing interactions: 0.443 (689/1554)
              weighted: 0.14 (6.09e+05/4.35e+06)
                    <3: 0.0449 (7/156)
                   <3w: 0.0152 (1.65e+04/1.08e+06)
Model  11  Missing interactions: 0.431 (667/1546)
              weighted: 0.115 (4.97e+05/4.32e+06)
                    <3: 0.0455 (7/154)
                   <3w: 0.0174 (1.76e+04/1.01e+06)
Model  12  Missing interactions: 0.456 (729/1598)
              weighted: 0.149 (6.42e+05/4.32e+06)
                    <3: 0.0452 (7/155)
                   <3w: 0.0156 (1.65e+04/1.06e+06)
Model  13  Missing interactions: 0.45 (712/1583)
              weighted: 0.133 (5.78e+05/4.34e+06)
                    <3: 0.0452 (7/155)
                   <3w: 0.0297 (2.95e+04/9.93e+05)
Model  14  Missing interactions: 0.45 (701/1558)
              weighted: 0.139 (5.98e+05/4.29e+06)
                    <3: 0.0452 (7/155)
                   <3w: 0.0262 (2.78e+04/1.06e+06)
Model  15  Missing interactions: 0.437 (672/1537)
              weighted: 0.139 (5.95e+05/4.27e+06)
                    <3: 0.0446 (7/157)
                   <3w: 0.0269 (2.81e+04/1.05e+06)
Model  16  Missing interactions: 0.454 (741/1633)
              weighted: 0.132 (5.63e+05/4.26e+06)
                    <3: 0.0452 (7/155)
                   <3w: 0.0159 (1.57e+04/9.91e+05)
Model  17  Missing interactions: 0.44 (702/1597)
              weighted: 0.135 (5.65e+05/4.19e+06)
                    <3: 0.044 (7/159)
                   <3w: 0.0264 (2.74e+04/1.04e+06)
Model  18  Missing interactions: 0.441 (695/1577)
              weighted: 0.151 (6.44e+05/4.26e+06)
                    <3: 0.0455 (7/154)
                   <3w: 0.0257 (2.8e+04/1.09e+06)
Model  19  Missing interactions: 0.449 (709/1579)
              weighted: 0.137 (6.03e+05/4.39e+06)
                    <3: 0.0443 (7/158)
                   <3w: 0.0161 (1.64e+04/1.02e+06)
Model  20  Missing interactions: 0.437 (681/1560)
              weighted: 0.14 (5.93e+05/4.24e+06)
                    <3: 0.0458 (7/153)
                   <3w: 0.0163 (1.63e+04/9.97e+05)

Model ave
 Recall: 0.986
 Precision: 
       all: 0.57  allw: 0.904
        <3: 0.954  <3w: 0.977

 F-measure:(Recall,Precision)  0.723
 F-measure:(Recall,PrecisionW) 0.943

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.988

Model 1
 Recall: 0.986
 Precision: 
       all: 0.552  allw: 0.863
        <3: 0.955  <3w: 0.984

 F-measure:(Recall,Precision)  0.708
 F-measure:(Recall,PrecisionW) 0.921

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.992

Model 2
 Recall: 0.985
 Precision: 
       all: 0.55  allw: 0.877
        <3: 0.954  <3w: 0.983

 F-measure:(Recall,Precision)  0.706
 F-measure:(Recall,PrecisionW) 0.928

 F-measure:(0,PrecisionIdeal)  0.976
 F-measure:(0,PrecisionIdealW) 0.991

Model 3
 Recall: 0.985
 Precision: 
       all: 0.556  allw: 0.877
        <3: 0.957  <3w: 0.982

 F-measure:(Recall,Precision)  0.711
 F-measure:(Recall,PrecisionW) 0.928

 F-measure:(0,PrecisionIdeal)  0.978
 F-measure:(0,PrecisionIdealW) 0.991

Model 4
 Recall: 0.982
 Precision: 
       all: 0.549  allw: 0.877
        <3: 0.954  <3w: 0.973

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

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

Model 5
 Recall: 0.987
 Precision: 
       all: 0.546  allw: 0.878
        <3: 0.955  <3w: 0.972

 F-measure:(Recall,Precision)  0.703
 F-measure:(Recall,PrecisionW) 0.929

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

Model 6
 Recall: 0.984
 Precision: 
       all: 0.55  allw: 0.853
        <3: 0.955  <3w: 0.984

 F-measure:(Recall,Precision)  0.705
 F-measure:(Recall,PrecisionW) 0.914

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.992

Model 7
 Recall: 0.985
 Precision: 
       all: 0.555  allw: 0.864
        <3: 0.956  <3w: 0.974

 F-measure:(Recall,Precision)  0.71
 F-measure:(Recall,PrecisionW) 0.921

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.987

Model 8
 Recall: 0.982
 Precision: 
       all: 0.545  allw: 0.88
        <3: 0.955  <3w: 0.984

 F-measure:(Recall,Precision)  0.701
 F-measure:(Recall,PrecisionW) 0.928

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.992

Model 9
 Recall: 0.986
 Precision: 
       all: 0.556  allw: 0.885
        <3: 0.955  <3w: 0.973

 F-measure:(Recall,Precision)  0.711
 F-measure:(Recall,PrecisionW) 0.933

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

Model 10
 Recall: 0.984
 Precision: 
       all: 0.557  allw: 0.86
        <3: 0.955  <3w: 0.985

 F-measure:(Recall,Precision)  0.711
 F-measure:(Recall,PrecisionW) 0.918

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.992

Model 11
 Recall: 0.985
 Precision: 
       all: 0.569  allw: 0.885
        <3: 0.955  <3w: 0.983

 F-measure:(Recall,Precision)  0.721
 F-measure:(Recall,PrecisionW) 0.932

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

Model 12
 Recall: 0.98
 Precision: 
       all: 0.544  allw: 0.851
        <3: 0.955  <3w: 0.984

 F-measure:(Recall,Precision)  0.699
 F-measure:(Recall,PrecisionW) 0.911

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.992

Model 13
 Recall: 0.981
 Precision: 
       all: 0.55  allw: 0.867
        <3: 0.955  <3w: 0.97

 F-measure:(Recall,Precision)  0.705
 F-measure:(Recall,PrecisionW) 0.92

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

Model 14
 Recall: 0.98
 Precision: 
       all: 0.55  allw: 0.861
        <3: 0.955  <3w: 0.974

 F-measure:(Recall,Precision)  0.705
 F-measure:(Recall,PrecisionW) 0.916

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.987

Model 15
 Recall: 0.982
 Precision: 
       all: 0.563  allw: 0.861
        <3: 0.955  <3w: 0.973

 F-measure:(Recall,Precision)  0.715
 F-measure:(Recall,PrecisionW) 0.917

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

Model 16
 Recall: 0.985
 Precision: 
       all: 0.546  allw: 0.868
        <3: 0.955  <3w: 0.984

 F-measure:(Recall,Precision)  0.703
 F-measure:(Recall,PrecisionW) 0.923

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.992

Model 17
 Recall: 0.983
 Precision: 
       all: 0.56  allw: 0.865
        <3: 0.956  <3w: 0.974

 F-measure:(Recall,Precision)  0.714
 F-measure:(Recall,PrecisionW) 0.92

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.987

Model 18
 Recall: 0.989
 Precision: 
       all: 0.559  allw: 0.849
        <3: 0.955  <3w: 0.974

 F-measure:(Recall,Precision)  0.714
 F-measure:(Recall,PrecisionW) 0.913

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.987

Model 19
 Recall: 0.98
 Precision: 
       all: 0.551  allw: 0.863
        <3: 0.956  <3w: 0.984

 F-measure:(Recall,Precision)  0.705
 F-measure:(Recall,PrecisionW) 0.917

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.992

Model 20
 Recall: 0.984
 Precision: 
       all: 0.563  allw: 0.86
        <3: 0.954  <3w: 0.984

 F-measure:(Recall,Precision)  0.717
 F-measure:(Recall,PrecisionW) 0.918

 F-measure:(0,PrecisionIdeal)  0.977
 F-measure:(0,PrecisionIdealW) 0.992

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: 0.0392(10/255) 
Model   1 Inconsistent score: 0.0392(10/255) 
Model   2 Inconsistent score: 0.0431(11/255) 
Model   3 Inconsistent score: 0.0275(7/255) 
Model   4 Inconsistent score: 0.0392(10/255) 
Model   5 Inconsistent score: 0.0314(8/255) 
Model   6 Inconsistent score: 0.0314(8/255) 
Model   7 Inconsistent score: 0.0314(8/255) 
Model   8 Inconsistent score: 0.0314(8/255) 
Model   9 Inconsistent score: 0.0314(8/255) 
Model  10 Inconsistent score: 0.0471(12/255) 
Model  11 Inconsistent score: 0.0275(7/255) 
Model  12 Inconsistent score: 0.0314(8/255) 
Model  13 Inconsistent score: 0.0431(11/255) 
Model  14 Inconsistent score: 0.0314(8/255) 
Model  15 Inconsistent score: 0.0275(7/255) 
Model  16 Inconsistent score: 0.0471(12/255) 
Model  17 Inconsistent score: 0.051(13/255) 
Model  18 Inconsistent score: 0.0471(12/255) 
Model  19 Inconsistent score: 0.0314(8/255) 
Model  20 Inconsistent score: 0.0431(11/255) 
Model ave  Missing interactions: 0.463 (187/404)
              weighted: 0.144 (5.3e+04/3.67e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.133 (1.03e+04/7.78e+04)
Model   1  Missing interactions: 0.459 (183/399)
              weighted: 0.134 (6.91e+04/5.17e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.131 (1.02e+04/7.82e+04)
Model   2  Missing interactions: 0.539 (257/477)
              weighted: 0.229 (1.73e+05/7.57e+05)
                    <3: 0.333 (10/30)
                   <3w: 0.131 (1.02e+04/7.78e+04)
Model   3  Missing interactions: 0.498 (218/438)
              weighted: 0.236 (1.33e+05/5.65e+05)
                    <3: 0.333 (10/30)
                   <3w: 0.132 (1.02e+04/7.74e+04)
Model   4  Missing interactions: 0.506 (229/453)
              weighted: 0.262 (1.89e+05/7.24e+05)
                    <3: 0.333 (10/30)
                   <3w: 0.133 (1.05e+04/7.85e+04)
Model   5  Missing interactions: 0.505 (220/436)
              weighted: 0.184 (1.07e+05/5.82e+05)
                    <3: 0.333 (10/30)
                   <3w: 0.132 (1.02e+04/7.76e+04)
Model   6  Missing interactions: 0.477 (218/457)
              weighted: 0.17 (1.21e+05/7.12e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.133 (1.05e+04/7.83e+04)
Model   7  Missing interactions: 0.491 (215/438)
              weighted: 0.209 (1.26e+05/6.04e+05)
                    <3: 0.333 (10/30)
                   <3w: 0.134 (1.05e+04/7.77e+04)
Model   8  Missing interactions: 0.514 (240/467)
              weighted: 0.29 (2.08e+05/7.17e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.134 (1.05e+04/7.79e+04)
Model   9  Missing interactions: 0.497 (214/431)
              weighted: 0.17 (1.11e+05/6.52e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.134 (1.05e+04/7.78e+04)
Model  10  Missing interactions: 0.52 (233/448)
              weighted: 0.224 (1.53e+05/6.84e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.134 (1.05e+04/7.82e+04)
Model  11  Missing interactions: 0.471 (196/416)
              weighted: 0.203 (1.18e+05/5.8e+05)
                    <3: 0.333 (10/30)
                   <3w: 0.132 (1.02e+04/7.74e+04)
Model  12  Missing interactions: 0.521 (248/476)
              weighted: 0.184 (1.32e+05/7.16e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.134 (1.05e+04/7.82e+04)
Model  13  Missing interactions: 0.509 (227/446)
              weighted: 0.253 (1.46e+05/5.75e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.132 (1.02e+04/7.73e+04)
Model  14  Missing interactions: 0.491 (211/430)
              weighted: 0.155 (9.62e+04/6.2e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.132 (1.02e+04/7.77e+04)
Model  15  Missing interactions: 0.508 (221/435)
              weighted: 0.198 (1.1e+05/5.56e+05)
                    <3: 0.333 (10/30)
                   <3w: 0.132 (1.02e+04/7.74e+04)
Model  16  Missing interactions: 0.509 (227/446)
              weighted: 0.257 (1.61e+05/6.26e+05)
                    <3: 0.333 (10/30)
                   <3w: 0.133 (1.04e+04/7.84e+04)
Model  17  Missing interactions: 0.516 (241/467)
              weighted: 0.273 (1.88e+05/6.89e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.134 (1.05e+04/7.81e+04)
Model  18  Missing interactions: 0.478 (195/408)
              weighted: 0.13 (7.69e+04/5.93e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.135 (1.04e+04/7.74e+04)
Model  19  Missing interactions: 0.492 (223/453)
              weighted: 0.275 (1.91e+05/6.95e+05)
                    <3: 0.333 (10/30)
                   <3w: 0.13 (1.02e+04/7.84e+04)
Model  20  Missing interactions: 0.481 (204/424)
              weighted: 0.144 (1.02e+05/7.12e+05)
                    <3: 0.345 (10/29)
                   <3w: 0.133 (1.05e+04/7.85e+04)

Model ave
 Recall: 0.961
 Precision: 
       all: 0.537  allw: 0.856
        <3: 0.655  <3w: 0.867

 F-measure:(Recall,Precision)  0.689
 F-measure:(Recall,PrecisionW) 0.905

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

Model 1
 Recall: 0.961
 Precision: 
       all: 0.541  allw: 0.866
        <3: 0.655  <3w: 0.869

 F-measure:(Recall,Precision)  0.693
 F-measure:(Recall,PrecisionW) 0.911

 F-measure:(0,PrecisionIdeal)  0.792
 F-measure:(0,PrecisionIdealW) 0.93

Model 2
 Recall: 0.957
 Precision: 
       all: 0.461  allw: 0.771
        <3: 0.667  <3w: 0.869

 F-measure:(Recall,Precision)  0.622
 F-measure:(Recall,PrecisionW) 0.854

 F-measure:(0,PrecisionIdeal)  0.8
 F-measure:(0,PrecisionIdealW) 0.93

Model 3
 Recall: 0.973
 Precision: 
       all: 0.502  allw: 0.764
        <3: 0.667  <3w: 0.868

 F-measure:(Recall,Precision)  0.662
 F-measure:(Recall,PrecisionW) 0.856

 F-measure:(0,PrecisionIdeal)  0.8
 F-measure:(0,PrecisionIdealW) 0.929

Model 4
 Recall: 0.961
 Precision: 
       all: 0.494  allw: 0.738
        <3: 0.667  <3w: 0.867

 F-measure:(Recall,Precision)  0.653
 F-measure:(Recall,PrecisionW) 0.835

 F-measure:(0,PrecisionIdeal)  0.8
 F-measure:(0,PrecisionIdealW) 0.929

Model 5
 Recall: 0.969
 Precision: 
       all: 0.495  allw: 0.816
        <3: 0.667  <3w: 0.868

 F-measure:(Recall,Precision)  0.656
 F-measure:(Recall,PrecisionW) 0.886

 F-measure:(0,PrecisionIdeal)  0.8
 F-measure:(0,PrecisionIdealW) 0.929

Model 6
 Recall: 0.969
 Precision: 
       all: 0.523  allw: 0.83
        <3: 0.655  <3w: 0.867

 F-measure:(Recall,Precision)  0.679
 F-measure:(Recall,PrecisionW) 0.894

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

Model 7
 Recall: 0.969
 Precision: 
       all: 0.509  allw: 0.791
        <3: 0.667  <3w: 0.866

 F-measure:(Recall,Precision)  0.667
 F-measure:(Recall,PrecisionW) 0.871

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

Model 8
 Recall: 0.969
 Precision: 
       all: 0.486  allw: 0.71
        <3: 0.655  <3w: 0.866

 F-measure:(Recall,Precision)  0.647
 F-measure:(Recall,PrecisionW) 0.819

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

Model 9
 Recall: 0.969
 Precision: 
       all: 0.503  allw: 0.83
        <3: 0.655  <3w: 0.866

 F-measure:(Recall,Precision)  0.663
 F-measure:(Recall,PrecisionW) 0.894

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

Model 10
 Recall: 0.953
 Precision: 
       all: 0.48  allw: 0.776
        <3: 0.655  <3w: 0.866

 F-measure:(Recall,Precision)  0.638
 F-measure:(Recall,PrecisionW) 0.855

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

Model 11
 Recall: 0.973
 Precision: 
       all: 0.529  allw: 0.797
        <3: 0.667  <3w: 0.868

 F-measure:(Recall,Precision)  0.685
 F-measure:(Recall,PrecisionW) 0.876

 F-measure:(0,PrecisionIdeal)  0.8
 F-measure:(0,PrecisionIdealW) 0.929

Model 12
 Recall: 0.969
 Precision: 
       all: 0.479  allw: 0.816
        <3: 0.655  <3w: 0.866

 F-measure:(Recall,Precision)  0.641
 F-measure:(Recall,PrecisionW) 0.886

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

Model 13
 Recall: 0.957
 Precision: 
       all: 0.491  allw: 0.747
        <3: 0.655  <3w: 0.868

 F-measure:(Recall,Precision)  0.649
 F-measure:(Recall,PrecisionW) 0.839

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

Model 14
 Recall: 0.969
 Precision: 
       all: 0.509  allw: 0.845
        <3: 0.655  <3w: 0.868

 F-measure:(Recall,Precision)  0.668
 F-measure:(Recall,PrecisionW) 0.903

 F-measure:(0,PrecisionIdeal)  0.792
 F-measure:(0,PrecisionIdealW) 0.93

Model 15
 Recall: 0.973
 Precision: 
       all: 0.492  allw: 0.802
        <3: 0.667  <3w: 0.868

 F-measure:(Recall,Precision)  0.653
 F-measure:(Recall,PrecisionW) 0.879

 F-measure:(0,PrecisionIdeal)  0.8
 F-measure:(0,PrecisionIdealW) 0.929

Model 16
 Recall: 0.953
 Precision: 
       all: 0.491  allw: 0.743
        <3: 0.667  <3w: 0.867

 F-measure:(Recall,Precision)  0.648
 F-measure:(Recall,PrecisionW) 0.835

 F-measure:(0,PrecisionIdeal)  0.8
 F-measure:(0,PrecisionIdealW) 0.929

Model 17
 Recall: 0.949
 Precision: 
       all: 0.484  allw: 0.727
        <3: 0.655  <3w: 0.866

 F-measure:(Recall,Precision)  0.641
 F-measure:(Recall,PrecisionW) 0.823

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

Model 18
 Recall: 0.953
 Precision: 
       all: 0.522  allw: 0.87
        <3: 0.655  <3w: 0.865

 F-measure:(Recall,Precision)  0.675
 F-measure:(Recall,PrecisionW) 0.91

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

Model 19
 Recall: 0.969
 Precision: 
       all: 0.508  allw: 0.725
        <3: 0.667  <3w: 0.87

 F-measure:(Recall,Precision)  0.666
 F-measure:(Recall,PrecisionW) 0.83

 F-measure:(0,PrecisionIdeal)  0.8
 F-measure:(0,PrecisionIdealW) 0.93

Model 20
 Recall: 0.957
 Precision: 
       all: 0.519  allw: 0.856
        <3: 0.655  <3w: 0.867

 F-measure:(Recall,Precision)  0.673
 F-measure:(Recall,PrecisionW) 0.904

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

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: 0.9806
 Final Precision-score for input query structures: 0.899107

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.969218

 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:      0.938
 F-score of ideal true structures:       0.984
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.8

Model 1

 Final Recall-score for input query structures: 0.9806
 Final Precision-score for input query structures: 0.8635

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.975537

 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:       0.988
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.700855

Model 2

 Final Recall-score for input query structures: 0.978836
 Final Precision-score for input query structures: 0.860955

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.974305

 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:       0.987
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.695279

Model 3

 Final Recall-score for input query structures: 0.982363
 Final Precision-score for input query structures: 0.863734

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.974168

 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:       0.987
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.708155

Model 4

 Final Recall-score for input query structures: 0.977072
 Final Precision-score for input query structures: 0.857371

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.965517

 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 5

 Final Recall-score for input query structures: 0.983245
 Final Precision-score for input query structures: 0.869946

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.965177

 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:       0.982
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.741228

Model 6

 Final Recall-score for input query structures: 0.9806
 Final Precision-score for input query structures: 0.849967

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.975265

 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:      0.911
 F-score of ideal true structures:       0.987
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.67382

Model 7

 Final Recall-score for input query structures: 0.981481
 Final Precision-score for input query structures: 0.854972

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.966402

 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:       0.983
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.69869

Model 8

 Final Recall-score for input query structures: 0.978836
 Final Precision-score for input query structures: 0.85554

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.975841

 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:       0.988
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.679487

Model 9

 Final Recall-score for input query structures: 0.982363
 Final Precision-score for input query structures: 0.877944

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.965778

 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:      0.927
 F-score of ideal true structures:       0.983
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.755459

Model 10

 Final Recall-score for input query structures: 0.977072
 Final Precision-score for input query structures: 0.848489

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.97676

 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:      0.908
 F-score of ideal true structures:       0.988
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.65812

Model 11

 Final Recall-score for input query structures: 0.982363
 Final Precision-score for input query structures: 0.874482

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.974487

 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:       0.987
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.733906

Model 12

 Final Recall-score for input query structures: 0.977072
 Final Precision-score for input query structures: 0.846213

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.976331

 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:       0.988
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.653846

Model 13

 Final Recall-score for input query structures: 0.975309
 Final Precision-score for input query structures: 0.852741

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.96286

 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:      0.91
 F-score of ideal true structures:       0.981
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.687225

Model 14

 Final Recall-score for input query structures: 0.977072
 Final Precision-score for input query structures: 0.85862

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.966568

 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:       0.983
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.69869

Model 15

 Final Recall-score for input query structures: 0.979718
 Final Precision-score for input query structures: 0.853813

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.96587

 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:      0.912
 F-score of ideal true structures:       0.983
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.689956

Model 16

 Final Recall-score for input query structures: 0.977954
 Final Precision-score for input query structures: 0.852003

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.975518

 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:      0.911
 F-score of ideal true structures:       0.988
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.67094

Model 17

 Final Recall-score for input query structures: 0.975309
 Final Precision-score for input query structures: 0.845684

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.966077

 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:       0.983
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.663756

Model 18

 Final Recall-score for input query structures: 0.9806
 Final Precision-score for input query structures: 0.851466

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.967068

 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:      0.911
 F-score of ideal true structures:       0.983
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.68559

Model 19

 Final Recall-score for input query structures: 0.977072
 Final Precision-score for input query structures: 0.844004

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.97568

 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:       0.988
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.649573

Model 20

 Final Recall-score for input query structures: 0.977954
 Final Precision-score for input query structures: 0.859519

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.97515

 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:       0.987
 F-score of freely-rotating-chain model: 0.754

 DP-Score: 0.690987

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

NOESY_Assign:
      User CPU Time:       13.2 sec.
      Syst CPU Time:       0.24 sec.
Other Processes:
      User CPU Time:       0.33 sec.
      Syst CPU Time:       0.03 sec.

Total Elapsed Time:       13.8 sec. 
