# created by  ASDP Version 1.0 Copyright(C) 2010
# Fri May 10 11:25:06 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/LKR112_R3Cons_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q LKR112_R3Cons_em_bcr3.pdb.iupac 


# Summary for n.peaks
Total simulated peaks: 163 Number of peaks NOT matched in the Peak List: 3
M score = 0.018

Average shift in HX: 5.3e-05 Average ab-shift in HX: 0.0014(Assignment used: 120)
Average shift in X: -0.027 Average ab-shift in X: 0.033(Assignment used: 111)
Average shift in HX2: -0.0013 Average ab-shift in HX2: 0.0034(Assignment used: 144)

#For peaklist n.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0358(60/1677) 
Model   1 Inconsistent score: 0.0364(61/1677) 
Model   2 Inconsistent score: 0.0346(58/1677) 
Model   3 Inconsistent score: 0.0352(59/1677) 
Model   4 Inconsistent score: 0.0364(61/1677) 
Model   5 Inconsistent score: 0.0376(63/1677) 
Model   6 Inconsistent score: 0.0328(55/1677) 
Model   7 Inconsistent score: 0.0346(58/1677) 
Model   8 Inconsistent score: 0.037(62/1677) 
Model   9 Inconsistent score: 0.0364(61/1677) 
Model  10 Inconsistent score: 0.0358(60/1677) 
Model  11 Inconsistent score: 0.0358(60/1677) 
Model  12 Inconsistent score: 0.0417(70/1677) 
Model  13 Inconsistent score: 0.0423(71/1677) 
Model  14 Inconsistent score: 0.0382(64/1677) 
Model  15 Inconsistent score: 0.0334(56/1677) 
Model  16 Inconsistent score: 0.0346(58/1677) 
Model  17 Inconsistent score: 0.0358(60/1677) 
Model  18 Inconsistent score: 0.0352(59/1677) 
Model  19 Inconsistent score: 0.037(62/1677) 
Model  20 Inconsistent score: 0.0382(64/1677) 
Model ave  Missing interactions: 0.159 (258/1618)
              weighted: 0.0139 (5.66e+04/4.08e+06)
                    <3: 0.0116 (2/173)
                   <3w: 0.00255 (2.86e+03/1.12e+06)
Model   1  Missing interactions: 0.178 (300/1681)
              weighted: 0.0262 (1.22e+05/4.66e+06)
                    <3: 0.00588 (1/170)
                   <3w: 0.00167 (1.91e+03/1.14e+06)
Model   2  Missing interactions: 0.172 (290/1687)
              weighted: 0.019 (8.74e+04/4.61e+06)
                    <3: 0.0118 (2/170)
                   <3w: 0.00168 (1.93e+03/1.15e+06)
Model   3  Missing interactions: 0.163 (267/1636)
              weighted: 0.0264 (1.21e+05/4.59e+06)
                    <3: 0.00581 (1/172)
                   <3w: 0.00174 (1.95e+03/1.12e+06)
Model   4  Missing interactions: 0.176 (293/1669)
              weighted: 0.0227 (1.04e+05/4.6e+06)
                    <3: 0.00592 (1/169)
                   <3w: 0.00174 (1.95e+03/1.12e+06)
Model   5  Missing interactions: 0.188 (319/1696)
              weighted: 0.0259 (1.19e+05/4.61e+06)
                    <3: 0.00588 (1/170)
                   <3w: 0.00376 (4.3e+03/1.14e+06)
Model   6  Missing interactions: 0.168 (281/1672)
              weighted: 0.0281 (1.31e+05/4.67e+06)
                    <3: 0.00592 (1/169)
                   <3w: 0.00169 (1.91e+03/1.13e+06)
Model   7  Missing interactions: 0.179 (300/1672)
              weighted: 0.0241 (1.09e+05/4.53e+06)
                    <3: 0.00578 (1/173)
                   <3w: 0.00172 (1.91e+03/1.11e+06)
Model   8  Missing interactions: 0.185 (312/1690)
              weighted: 0.0252 (1.15e+05/4.54e+06)
                    <3: 0.00585 (1/171)
                   <3w: 0.0017 (1.91e+03/1.12e+06)
Model   9  Missing interactions: 0.18 (300/1665)
              weighted: 0.0231 (1.06e+05/4.59e+06)
                    <3: 0.00581 (1/172)
                   <3w: 0.0017 (1.91e+03/1.12e+06)
Model  10  Missing interactions: 0.177 (297/1682)
              weighted: 0.0207 (9.57e+04/4.62e+06)
                    <3: 0.00592 (1/169)
                   <3w: 0.00175 (1.95e+03/1.11e+06)
Model  11  Missing interactions: 0.175 (292/1668)
              weighted: 0.025 (1.17e+05/4.66e+06)
                    <3: 0.00581 (1/172)
                   <3w: 0.00174 (1.95e+03/1.12e+06)
Model  12  Missing interactions: 0.195 (331/1697)
              weighted: 0.0315 (1.45e+05/4.59e+06)
                    <3: 0.00585 (1/171)
                   <3w: 0.00177 (1.95e+03/1.1e+06)
Model  13  Missing interactions: 0.185 (310/1678)
              weighted: 0.0266 (1.23e+05/4.63e+06)
                    <3: 0.00585 (1/171)
                   <3w: 0.00173 (1.95e+03/1.12e+06)
Model  14  Missing interactions: 0.18 (304/1685)
              weighted: 0.0279 (1.3e+05/4.66e+06)
                    <3: 0.00588 (1/170)
                   <3w: 0.00171 (1.91e+03/1.12e+06)
Model  15  Missing interactions: 0.164 (274/1669)
              weighted: 0.0184 (8.5e+04/4.61e+06)
                    <3: 0.00581 (1/172)
                   <3w: 0.00171 (1.91e+03/1.12e+06)
Model  16  Missing interactions: 0.182 (307/1689)
              weighted: 0.0225 (1.02e+05/4.56e+06)
                    <3: 0.00588 (1/170)
                   <3w: 0.0017 (1.91e+03/1.12e+06)
Model  17  Missing interactions: 0.175 (293/1676)
              weighted: 0.0306 (1.41e+05/4.6e+06)
                    <3: 0.0116 (2/173)
                   <3w: 0.00181 (2.01e+03/1.11e+06)
Model  18  Missing interactions: 0.171 (283/1658)
              weighted: 0.0195 (8.99e+04/4.62e+06)
                    <3: 0.0116 (2/172)
                   <3w: 0.00176 (1.97e+03/1.12e+06)
Model  19  Missing interactions: 0.182 (307/1685)
              weighted: 0.0273 (1.25e+05/4.59e+06)
                    <3: 0.00585 (1/171)
                   <3w: 0.00382 (4.2e+03/1.1e+06)
Model  20  Missing interactions: 0.166 (274/1646)
              weighted: 0.0199 (9.1e+04/4.58e+06)
                    <3: 0.00588 (1/170)
                   <3w: 0.00171 (1.91e+03/1.11e+06)

Model ave
 Recall: 0.964
 Precision: 
       all: 0.841  allw: 0.986
        <3: 0.988  <3w: 0.997

 F-measure:(Recall,Precision)  0.898
 F-measure:(Recall,PrecisionW) 0.975

 F-measure:(0,PrecisionIdeal)  0.994
 F-measure:(0,PrecisionIdealW) 0.999

Model 1
 Recall: 0.964
 Precision: 
       all: 0.822  allw: 0.974
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.887
 F-measure:(Recall,PrecisionW) 0.969

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.999

Model 2
 Recall: 0.965
 Precision: 
       all: 0.828  allw: 0.981
        <3: 0.988  <3w: 0.998

 F-measure:(Recall,Precision)  0.891
 F-measure:(Recall,PrecisionW) 0.973

 F-measure:(0,PrecisionIdeal)  0.994
 F-measure:(0,PrecisionIdealW) 0.999

Model 3
 Recall: 0.965
 Precision: 
       all: 0.837  allw: 0.974
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.896
 F-measure:(Recall,PrecisionW) 0.969

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.999

Model 4
 Recall: 0.964
 Precision: 
       all: 0.824  allw: 0.977
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.889
 F-measure:(Recall,PrecisionW) 0.97

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.999

Model 5
 Recall: 0.962
 Precision: 
       all: 0.812  allw: 0.974
        <3: 0.994  <3w: 0.996

 F-measure:(Recall,Precision)  0.881
 F-measure:(Recall,PrecisionW) 0.968

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.998

Model 6
 Recall: 0.967
 Precision: 
       all: 0.832  allw: 0.972
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.894
 F-measure:(Recall,PrecisionW) 0.97

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.999

Model 7
 Recall: 0.965
 Precision: 
       all: 0.821  allw: 0.976
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.887
 F-measure:(Recall,PrecisionW) 0.971

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.999

Model 8
 Recall: 0.963
 Precision: 
       all: 0.815  allw: 0.975
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.883
 F-measure:(Recall,PrecisionW) 0.969

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.999

Model 9
 Recall: 0.964
 Precision: 
       all: 0.82  allw: 0.977
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.886
 F-measure:(Recall,PrecisionW) 0.97

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.999

Model 10
 Recall: 0.964
 Precision: 
       all: 0.823  allw: 0.979
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.888
 F-measure:(Recall,PrecisionW) 0.972

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.999

Model 11
 Recall: 0.964
 Precision: 
       all: 0.825  allw: 0.975
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.889
 F-measure:(Recall,PrecisionW) 0.97

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.999

Model 12
 Recall: 0.958
 Precision: 
       all: 0.805  allw: 0.969
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.875
 F-measure:(Recall,PrecisionW) 0.963

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.999

Model 13
 Recall: 0.958
 Precision: 
       all: 0.815  allw: 0.973
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.881
 F-measure:(Recall,PrecisionW) 0.965

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.999

Model 14
 Recall: 0.962
 Precision: 
       all: 0.82  allw: 0.972
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.885
 F-measure:(Recall,PrecisionW) 0.967

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.999

Model 15
 Recall: 0.967
 Precision: 
       all: 0.836  allw: 0.982
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.896
 F-measure:(Recall,PrecisionW) 0.974

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.999

Model 16
 Recall: 0.965
 Precision: 
       all: 0.818  allw: 0.978
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.886
 F-measure:(Recall,PrecisionW) 0.971

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.999

Model 17
 Recall: 0.964
 Precision: 
       all: 0.825  allw: 0.969
        <3: 0.988  <3w: 0.998

 F-measure:(Recall,Precision)  0.889
 F-measure:(Recall,PrecisionW) 0.967

 F-measure:(0,PrecisionIdeal)  0.994
 F-measure:(0,PrecisionIdealW) 0.999

Model 18
 Recall: 0.965
 Precision: 
       all: 0.829  allw: 0.981
        <3: 0.988  <3w: 0.998

 F-measure:(Recall,Precision)  0.892
 F-measure:(Recall,PrecisionW) 0.973

 F-measure:(0,PrecisionIdeal)  0.994
 F-measure:(0,PrecisionIdealW) 0.999

Model 19
 Recall: 0.963
 Precision: 
       all: 0.818  allw: 0.973
        <3: 0.994  <3w: 0.996

 F-measure:(Recall,Precision)  0.884
 F-measure:(Recall,PrecisionW) 0.968

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.998

Model 20
 Recall: 0.962
 Precision: 
       all: 0.834  allw: 0.98
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.893
 F-measure:(Recall,PrecisionW) 0.971

 F-measure:(0,PrecisionIdeal)  0.997
 F-measure:(0,PrecisionIdealW) 0.999

For freely-rotating-chain model:
Model ave Inconsistent score: 0.399(669/1677) 
Model ave  Missing interactions: 0.107 (90/840)
              weighted: 0.0394 (1.98e+04/5.02e+05)
                    <3: 0.0245 (4/163)
                   <3w: 0.0236 (6.8e+03/2.88e+05)

 Recall: 0.601
 Precision: 
       all: 0.893  allw: 0.961

 F-measure:(RecallFree,PrecisionFree)  0.718
 F-measure:(ReallFree,PrecisionFreeW) 0.739

# Summary for c_ali.peaks
Total simulated peaks: 862 Number of peaks NOT matched in the Peak List: 57
M score = 0.066

Average shift in HX: 0.0015 Average ab-shift in HX: 0.0044(Assignment used: 372)
Average shift in X: -0.021 Average ab-shift in X: 0.05(Assignment used: 285)
Average shift in HX2: 0.0018 Average ab-shift in HX2: 0.0049(Assignment used: 427)

#For peaklist c_ali.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0135(48/3559) 
Model   1 Inconsistent score: 0.0132(47/3559) 
Model   2 Inconsistent score: 0.016(57/3559) 
Model   3 Inconsistent score: 0.0143(51/3559) 
Model   4 Inconsistent score: 0.0135(48/3559) 
Model   5 Inconsistent score: 0.0146(52/3559) 
Model   6 Inconsistent score: 0.0155(55/3559) 
Model   7 Inconsistent score: 0.0138(49/3559) 
Model   8 Inconsistent score: 0.016(57/3559) 
Model   9 Inconsistent score: 0.0143(51/3559) 
Model  10 Inconsistent score: 0.0138(49/3559) 
Model  11 Inconsistent score: 0.0138(49/3559) 
Model  12 Inconsistent score: 0.0146(52/3559) 
Model  13 Inconsistent score: 0.0149(53/3559) 
Model  14 Inconsistent score: 0.0163(58/3559) 
Model  15 Inconsistent score: 0.0155(55/3559) 
Model  16 Inconsistent score: 0.0152(54/3559) 
Model  17 Inconsistent score: 0.0143(51/3559) 
Model  18 Inconsistent score: 0.014(50/3559) 
Model  19 Inconsistent score: 0.0129(46/3559) 
Model  20 Inconsistent score: 0.0155(55/3559) 
Model ave  Missing interactions: 0.358 (1.7e+03/4763)
              weighted: 0.0524 (7.04e+05/1.34e+07)
                    <3: 0.0276 (18/652)
                   <3w: 0.0161 (1.12e+05/6.95e+06)
Model   1  Missing interactions: 0.384 (1.96e+03/5096)
              weighted: 0.0831 (1.26e+06/1.51e+07)
                    <3: 0.0277 (18/650)
                   <3w: 0.0157 (1.1e+05/7.04e+06)
Model   2  Missing interactions: 0.377 (1.92e+03/5085)
              weighted: 0.0774 (1.16e+06/1.5e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.0172 (1.21e+05/7.02e+06)
Model   3  Missing interactions: 0.367 (1.8e+03/4899)
              weighted: 0.0676 (1e+06/1.49e+07)
                    <3: 0.0276 (18/652)
                   <3w: 0.0189 (1.33e+05/7.06e+06)
Model   4  Missing interactions: 0.374 (1.86e+03/4977)
              weighted: 0.0713 (1.05e+06/1.48e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.015 (1.04e+05/6.94e+06)
Model   5  Missing interactions: 0.383 (1.94e+03/5058)
              weighted: 0.0799 (1.19e+06/1.49e+07)
                    <3: 0.0277 (18/650)
                   <3w: 0.0157 (1.1e+05/7.03e+06)
Model   6  Missing interactions: 0.382 (1.96e+03/5134)
              weighted: 0.0746 (1.12e+06/1.51e+07)
                    <3: 0.0276 (18/651)
                   <3w: 0.0133 (9.29e+04/6.96e+06)
Model   7  Missing interactions: 0.376 (1.89e+03/5032)
              weighted: 0.0715 (1.06e+06/1.48e+07)
                    <3: 0.0276 (18/653)
                   <3w: 0.0156 (1.09e+05/6.99e+06)
Model   8  Missing interactions: 0.383 (1.95e+03/5090)
              weighted: 0.0823 (1.24e+06/1.5e+07)
                    <3: 0.0276 (18/651)
                   <3w: 0.017 (1.2e+05/7.07e+06)
Model   9  Missing interactions: 0.383 (1.94e+03/5076)
              weighted: 0.0791 (1.18e+06/1.49e+07)
                    <3: 0.0276 (18/652)
                   <3w: 0.0152 (1.06e+05/6.95e+06)
Model  10  Missing interactions: 0.378 (1.93e+03/5097)
              weighted: 0.082 (1.23e+06/1.5e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.0154 (1.07e+05/6.95e+06)
Model  11  Missing interactions: 0.378 (1.9e+03/5018)
              weighted: 0.0705 (1.05e+06/1.49e+07)
                    <3: 0.0276 (18/652)
                   <3w: 0.0146 (1.02e+05/6.98e+06)
Model  12  Missing interactions: 0.385 (1.97e+03/5105)
              weighted: 0.0876 (1.32e+06/1.5e+07)
                    <3: 0.0276 (18/651)
                   <3w: 0.0154 (1.08e+05/6.98e+06)
Model  13  Missing interactions: 0.379 (1.91e+03/5040)
              weighted: 0.0774 (1.16e+06/1.5e+07)
                    <3: 0.0276 (18/651)
                   <3w: 0.0152 (1.06e+05/7e+06)
Model  14  Missing interactions: 0.381 (1.95e+03/5129)
              weighted: 0.0875 (1.31e+06/1.5e+07)
                    <3: 0.0276 (18/652)
                   <3w: 0.0155 (1.08e+05/6.98e+06)
Model  15  Missing interactions: 0.374 (1.87e+03/4995)
              weighted: 0.0745 (1.11e+06/1.49e+07)
                    <3: 0.0275 (18/654)
                   <3w: 0.0173 (1.22e+05/7.09e+06)
Model  16  Missing interactions: 0.385 (1.95e+03/5071)
              weighted: 0.0752 (1.11e+06/1.47e+07)
                    <3: 0.0277 (18/650)
                   <3w: 0.0155 (1.09e+05/7.01e+06)
Model  17  Missing interactions: 0.374 (1.87e+03/4996)
              weighted: 0.0718 (1.06e+06/1.48e+07)
                    <3: 0.0276 (18/652)
                   <3w: 0.0155 (1.08e+05/7e+06)
Model  18  Missing interactions: 0.372 (1.83e+03/4931)
              weighted: 0.0658 (9.67e+05/1.47e+07)
                    <3: 0.0276 (18/651)
                   <3w: 0.015 (1.04e+05/6.96e+06)
Model  19  Missing interactions: 0.378 (1.93e+03/5103)
              weighted: 0.0784 (1.17e+06/1.49e+07)
                    <3: 0.0276 (18/651)
                   <3w: 0.0148 (1.04e+05/7e+06)
Model  20  Missing interactions: 0.379 (1.9e+03/5000)
              weighted: 0.0743 (1.11e+06/1.5e+07)
                    <3: 0.0276 (18/652)
                   <3w: 0.0155 (1.08e+05/6.99e+06)

Model ave
 Recall: 0.987
 Precision: 
       all: 0.642  allw: 0.948
        <3: 0.972  <3w: 0.984

 F-measure:(Recall,Precision)  0.778
 F-measure:(Recall,PrecisionW) 0.967

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.992

Model 1
 Recall: 0.987
 Precision: 
       all: 0.616  allw: 0.917
        <3: 0.972  <3w: 0.984

 F-measure:(Recall,Precision)  0.759
 F-measure:(Recall,PrecisionW) 0.951

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.992

Model 2
 Recall: 0.984
 Precision: 
       all: 0.623  allw: 0.923
        <3: 0.972  <3w: 0.983

 F-measure:(Recall,Precision)  0.763
 F-measure:(Recall,PrecisionW) 0.952

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.991

Model 3
 Recall: 0.986
 Precision: 
       all: 0.633  allw: 0.932
        <3: 0.972  <3w: 0.981

 F-measure:(Recall,Precision)  0.771
 F-measure:(Recall,PrecisionW) 0.958

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.99

Model 4
 Recall: 0.987
 Precision: 
       all: 0.626  allw: 0.929
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.766
 F-measure:(Recall,PrecisionW) 0.957

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.992

Model 5
 Recall: 0.985
 Precision: 
       all: 0.617  allw: 0.92
        <3: 0.972  <3w: 0.984

 F-measure:(Recall,Precision)  0.759
 F-measure:(Recall,PrecisionW) 0.952

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.992

Model 6
 Recall: 0.985
 Precision: 
       all: 0.618  allw: 0.925
        <3: 0.972  <3w: 0.987

 F-measure:(Recall,Precision)  0.759
 F-measure:(Recall,PrecisionW) 0.954

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.993

Model 7
 Recall: 0.986
 Precision: 
       all: 0.624  allw: 0.928
        <3: 0.972  <3w: 0.984

 F-measure:(Recall,Precision)  0.764
 F-measure:(Recall,PrecisionW) 0.956

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.992

Model 8
 Recall: 0.984
 Precision: 
       all: 0.617  allw: 0.918
        <3: 0.972  <3w: 0.983

 F-measure:(Recall,Precision)  0.758
 F-measure:(Recall,PrecisionW) 0.95

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.991

Model 9
 Recall: 0.986
 Precision: 
       all: 0.617  allw: 0.921
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.759
 F-measure:(Recall,PrecisionW) 0.952

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.992

Model 10
 Recall: 0.986
 Precision: 
       all: 0.622  allw: 0.918
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.763
 F-measure:(Recall,PrecisionW) 0.951

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.992

Model 11
 Recall: 0.986
 Precision: 
       all: 0.622  allw: 0.93
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.763
 F-measure:(Recall,PrecisionW) 0.957

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.993

Model 12
 Recall: 0.985
 Precision: 
       all: 0.615  allw: 0.912
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.757
 F-measure:(Recall,PrecisionW) 0.947

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.992

Model 13
 Recall: 0.985
 Precision: 
       all: 0.621  allw: 0.923
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.762
 F-measure:(Recall,PrecisionW) 0.953

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.992

Model 14
 Recall: 0.984
 Precision: 
       all: 0.619  allw: 0.913
        <3: 0.972  <3w: 0.984

 F-measure:(Recall,Precision)  0.76
 F-measure:(Recall,PrecisionW) 0.947

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.992

Model 15
 Recall: 0.985
 Precision: 
       all: 0.626  allw: 0.925
        <3: 0.972  <3w: 0.983

 F-measure:(Recall,Precision)  0.766
 F-measure:(Recall,PrecisionW) 0.954

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.991

Model 16
 Recall: 0.985
 Precision: 
       all: 0.615  allw: 0.925
        <3: 0.972  <3w: 0.984

 F-measure:(Recall,Precision)  0.758
 F-measure:(Recall,PrecisionW) 0.954

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.992

Model 17
 Recall: 0.986
 Precision: 
       all: 0.626  allw: 0.928
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.765
 F-measure:(Recall,PrecisionW) 0.956

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.992

Model 18
 Recall: 0.986
 Precision: 
       all: 0.628  allw: 0.934
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.767
 F-measure:(Recall,PrecisionW) 0.959

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.992

Model 19
 Recall: 0.987
 Precision: 
       all: 0.622  allw: 0.922
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.763
 F-measure:(Recall,PrecisionW) 0.953

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.993

Model 20
 Recall: 0.985
 Precision: 
       all: 0.621  allw: 0.926
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.762
 F-measure:(Recall,PrecisionW) 0.954

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.992

For freely-rotating-chain model:
Model ave Inconsistent score: 0.401(1426/3559) 
Model ave  Missing interactions: 0.285 (582/2040)
              weighted: 0.0809 (1.3e+05/1.61e+06)
                    <3: 0.0281 (18/640)
                   <3w: 0.0247 (2.89e+04/1.17e+06)

 Recall: 0.599
 Precision: 
       all: 0.715  allw: 0.919

 F-measure:(RecallFree,PrecisionFree)  0.652
 F-measure:(ReallFree,PrecisionFreeW) 0.726

# Summary for c_aro.peaks
Total simulated peaks: 8 Number of peaks NOT matched in the Peak List: 0
M score = 0

Average shift in HX: -0.0001 Average ab-shift in HX: 0.0015(Assignment used: 5)
Average shift in X: 0.032 Average ab-shift in X: 0.036(Assignment used: 5)
Average shift in HX2: 0.0036 Average ab-shift in HX2: 0.0046(Assignment used: 8)

#For peaklist c_aro.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0282(5/177) 
Model   1 Inconsistent score: 0.0282(5/177) 
Model   2 Inconsistent score: 0.0452(8/177) 
Model   3 Inconsistent score: 0.0282(5/177) 
Model   4 Inconsistent score: 0.0226(4/177) 
Model   5 Inconsistent score: 0.0395(7/177) 
Model   6 Inconsistent score: 0.0395(7/177) 
Model   7 Inconsistent score: 0.0282(5/177) 
Model   8 Inconsistent score: 0.0395(7/177) 
Model   9 Inconsistent score: 0.0339(6/177) 
Model  10 Inconsistent score: 0.0282(5/177) 
Model  11 Inconsistent score: 0.0339(6/177) 
Model  12 Inconsistent score: 0.0339(6/177) 
Model  13 Inconsistent score: 0.0282(5/177) 
Model  14 Inconsistent score: 0.0339(6/177) 
Model  15 Inconsistent score: 0.0282(5/177) 
Model  16 Inconsistent score: 0.0339(6/177) 
Model  17 Inconsistent score: 0.0339(6/177) 
Model  18 Inconsistent score: 0.0282(5/177) 
Model  19 Inconsistent score: 0.0339(6/177) 
Model  20 Inconsistent score: 0.0282(5/177) 
Model ave  Missing interactions: 0.4 (110/275)
              weighted: 0.0893 (2.59e+04/2.9e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.0721 (1.09e+03/1.51e+04)
Model   1  Missing interactions: 0.413 (121/293)
              weighted: 0.103 (3.72e+04/3.63e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0739 (1.02e+03/1.38e+04)
Model   2  Missing interactions: 0.413 (114/276)
              weighted: 0.0834 (2.61e+04/3.13e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.0669 (1.09e+03/1.64e+04)
Model   3  Missing interactions: 0.409 (115/281)
              weighted: 0.0805 (2.87e+04/3.56e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0731 (1.01e+03/1.38e+04)
Model   4  Missing interactions: 0.418 (118/282)
              weighted: 0.087 (3.2e+04/3.68e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0729 (1.01e+03/1.39e+04)
Model   5  Missing interactions: 0.399 (111/278)
              weighted: 0.0804 (2.63e+04/3.27e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0725 (1.01e+03/1.39e+04)
Model   6  Missing interactions: 0.391 (108/276)
              weighted: 0.0761 (2.78e+04/3.65e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0724 (1.01e+03/1.39e+04)
Model   7  Missing interactions: 0.402 (111/276)
              weighted: 0.0781 (2.74e+04/3.5e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0734 (1.01e+03/1.38e+04)
Model   8  Missing interactions: 0.4 (108/270)
              weighted: 0.0708 (2.58e+04/3.65e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0732 (1.01e+03/1.38e+04)
Model   9  Missing interactions: 0.421 (120/285)
              weighted: 0.0807 (2.97e+04/3.68e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0726 (1.01e+03/1.39e+04)
Model  10  Missing interactions: 0.435 (131/301)
              weighted: 0.0971 (3.46e+04/3.56e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0728 (1.01e+03/1.39e+04)
Model  11  Missing interactions: 0.434 (125/288)
              weighted: 0.0992 (3.55e+04/3.58e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0731 (1.01e+03/1.38e+04)
Model  12  Missing interactions: 0.423 (121/286)
              weighted: 0.0872 (3.14e+04/3.61e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.073 (1.01e+03/1.38e+04)
Model  13  Missing interactions: 0.438 (128/292)
              weighted: 0.107 (3.99e+04/3.73e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0733 (1.01e+03/1.38e+04)
Model  14  Missing interactions: 0.408 (119/292)
              weighted: 0.0968 (3.54e+04/3.65e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0734 (1.01e+03/1.38e+04)
Model  15  Missing interactions: 0.401 (110/274)
              weighted: 0.0718 (2.32e+04/3.23e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.073 (1.01e+03/1.38e+04)
Model  16  Missing interactions: 0.434 (126/290)
              weighted: 0.111 (3.86e+04/3.48e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0732 (1.01e+03/1.38e+04)
Model  17  Missing interactions: 0.423 (120/284)
              weighted: 0.078 (3.02e+04/3.87e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.0666 (1.09e+03/1.64e+04)
Model  18  Missing interactions: 0.407 (112/275)
              weighted: 0.0841 (2.72e+04/3.23e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.0776 (1.08e+03/1.39e+04)
Model  19  Missing interactions: 0.426 (121/284)
              weighted: 0.111 (4.19e+04/3.77e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0731 (1.01e+03/1.38e+04)
Model  20  Missing interactions: 0.403 (112/278)
              weighted: 0.0938 (3.23e+04/3.45e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0732 (1.01e+03/1.38e+04)

Model ave
 Recall: 0.972
 Precision: 
       all: 0.6  allw: 0.911
        <3: 0.533  <3w: 0.928

 F-measure:(Recall,Precision)  0.742
 F-measure:(Recall,PrecisionW) 0.94

 F-measure:(0,PrecisionIdeal)  0.696
 F-measure:(0,PrecisionIdealW) 0.963

Model 1
 Recall: 0.972
 Precision: 
       all: 0.587  allw: 0.897
        <3: 0.571  <3w: 0.926

 F-measure:(Recall,Precision)  0.732
 F-measure:(Recall,PrecisionW) 0.933

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 2
 Recall: 0.955
 Precision: 
       all: 0.587  allw: 0.917
        <3: 0.533  <3w: 0.933

 F-measure:(Recall,Precision)  0.727
 F-measure:(Recall,PrecisionW) 0.935

 F-measure:(0,PrecisionIdeal)  0.696
 F-measure:(0,PrecisionIdealW) 0.965

Model 3
 Recall: 0.972
 Precision: 
       all: 0.591  allw: 0.919
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.735
 F-measure:(Recall,PrecisionW) 0.945

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 4
 Recall: 0.977
 Precision: 
       all: 0.582  allw: 0.913
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.729
 F-measure:(Recall,PrecisionW) 0.944

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 5
 Recall: 0.96
 Precision: 
       all: 0.601  allw: 0.92
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.739
 F-measure:(Recall,PrecisionW) 0.94

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 6
 Recall: 0.96
 Precision: 
       all: 0.609  allw: 0.924
        <3: 0.571  <3w: 0.928

 F-measure:(Recall,Precision)  0.745
 F-measure:(Recall,PrecisionW) 0.942

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 7
 Recall: 0.972
 Precision: 
       all: 0.598  allw: 0.922
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.74
 F-measure:(Recall,PrecisionW) 0.946

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 8
 Recall: 0.96
 Precision: 
       all: 0.6  allw: 0.929
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.739
 F-measure:(Recall,PrecisionW) 0.945

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 9
 Recall: 0.966
 Precision: 
       all: 0.579  allw: 0.919
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.724
 F-measure:(Recall,PrecisionW) 0.942

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 10
 Recall: 0.972
 Precision: 
       all: 0.565  allw: 0.903
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.714
 F-measure:(Recall,PrecisionW) 0.936

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 11
 Recall: 0.966
 Precision: 
       all: 0.566  allw: 0.901
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.714
 F-measure:(Recall,PrecisionW) 0.932

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 12
 Recall: 0.966
 Precision: 
       all: 0.577  allw: 0.913
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.722
 F-measure:(Recall,PrecisionW) 0.939

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 13
 Recall: 0.972
 Precision: 
       all: 0.562  allw: 0.893
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.712
 F-measure:(Recall,PrecisionW) 0.931

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 14
 Recall: 0.966
 Precision: 
       all: 0.592  allw: 0.903
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.734
 F-measure:(Recall,PrecisionW) 0.934

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 15
 Recall: 0.972
 Precision: 
       all: 0.599  allw: 0.928
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.741
 F-measure:(Recall,PrecisionW) 0.949

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 16
 Recall: 0.966
 Precision: 
       all: 0.566  allw: 0.889
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.713
 F-measure:(Recall,PrecisionW) 0.926

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 17
 Recall: 0.966
 Precision: 
       all: 0.577  allw: 0.922
        <3: 0.533  <3w: 0.933

 F-measure:(Recall,Precision)  0.723
 F-measure:(Recall,PrecisionW) 0.944

 F-measure:(0,PrecisionIdeal)  0.696
 F-measure:(0,PrecisionIdealW) 0.966

Model 18
 Recall: 0.972
 Precision: 
       all: 0.593  allw: 0.916
        <3: 0.533  <3w: 0.922

 F-measure:(Recall,Precision)  0.736
 F-measure:(Recall,PrecisionW) 0.943

 F-measure:(0,PrecisionIdeal)  0.696
 F-measure:(0,PrecisionIdealW) 0.96

Model 19
 Recall: 0.966
 Precision: 
       all: 0.574  allw: 0.889
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.72
 F-measure:(Recall,PrecisionW) 0.926

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

Model 20
 Recall: 0.972
 Precision: 
       all: 0.597  allw: 0.906
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.74
 F-measure:(Recall,PrecisionW) 0.938

 F-measure:(0,PrecisionIdeal)  0.727
 F-measure:(0,PrecisionIdealW) 0.962

For freely-rotating-chain model:
Model ave Inconsistent score: 0.723(128/177) 
Model ave  Missing interactions: 0.481 (25/52)
              weighted: 0.574 (1.66e+04/2.89e+04)
                    <3: 0.684 (13/19)
                   <3w: 0.641 (1.55e+04/2.41e+04)

 Recall: 0.277
 Precision: 
       all: 0.519  allw: 0.426

 F-measure:(RecallFree,PrecisionFree)  0.361
 F-measure:(ReallFree,PrecisionFreeW) 0.336


 Final M-score 0.0581 60/1.03e+03

Model ave

 Final Recall-score for input query structures: 0.979
 Final Precision-score for input query structures: 0.956

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.986

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.967
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.905

Model 1

 Final Recall-score for input query structures: 0.979
 Final Precision-score for input query structures: 0.93

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.986

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.954
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.858

Model 2

 Final Recall-score for input query structures: 0.977
 Final Precision-score for input query structures: 0.936

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.985

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.956
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.868

Model 3

 Final Recall-score for input query structures: 0.979
 Final Precision-score for input query structures: 0.942

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.983

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.96
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.883

Model 4

 Final Recall-score for input query structures: 0.979
 Final Precision-score for input query structures: 0.94

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.987

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.959
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.876

Model 5

 Final Recall-score for input query structures: 0.977
 Final Precision-score for input query structures: 0.933

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.986

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.955
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.861

Model 6

 Final Recall-score for input query structures: 0.978
 Final Precision-score for input query structures: 0.936

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.988

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.957
 F-score of ideal true structures:       0.994
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.865

Model 7

 Final Recall-score for input query structures: 0.979
 Final Precision-score for input query structures: 0.939

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.986

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.959
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.876

Model 8

 Final Recall-score for input query structures: 0.977
 Final Precision-score for input query structures: 0.931

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.985

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.953
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.857

Model 9

 Final Recall-score for input query structures: 0.978
 Final Precision-score for input query structures: 0.934

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.987

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.956
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.865

Model 10

 Final Recall-score for input query structures: 0.979
 Final Precision-score for input query structures: 0.932

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.986

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.955
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.861

Model 11

 Final Recall-score for input query structures: 0.979
 Final Precision-score for input query structures: 0.94

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.987

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.959
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.876

Model 12

 Final Recall-score for input query structures: 0.976
 Final Precision-score for input query structures: 0.925

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.986

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.95
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.843

Model 13

 Final Recall-score for input query structures: 0.976
 Final Precision-score for input query structures: 0.934

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.987

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.954
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.858

Model 14

 Final Recall-score for input query structures: 0.976
 Final Precision-score for input query structures: 0.926

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.986

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.951
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.847

Model 15

 Final Recall-score for input query structures: 0.979
 Final Precision-score for input query structures: 0.939

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.985

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.958
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.875

Model 16

 Final Recall-score for input query structures: 0.978
 Final Precision-score for input query structures: 0.936

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.986

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.957
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.869

Model 17

 Final Recall-score for input query structures: 0.978
 Final Precision-score for input query structures: 0.938

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.986

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.958
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.872

Model 18

 Final Recall-score for input query structures: 0.979
 Final Precision-score for input query structures: 0.945

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.987

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.962
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.887

Model 19

 Final Recall-score for input query structures: 0.979
 Final Precision-score for input query structures: 0.933

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.987

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.955
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.861

Model 20

 Final Recall-score for input query structures: 0.977
 Final Precision-score for input query structures: 0.938

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.986

 Final Recall-score for freely-rotating-chain model: 0.589
 Final Precision-score for freely-rotating-chain model: 0.922

 Summary:
 F-score of input query structures:      0.957
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.869

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

NOESY_Assign:
      User CPU Time:       64.6 sec.
      Syst CPU Time:       0.94 sec.
Other Processes:
      User CPU Time:       0.73 sec.
      Syst CPU Time:       0.06 sec.

Total Elapsed Time:       66.4 sec. 
