# created by  ASDP Version 1.0 Copyright(C) 2010
# Fri May 10 11:10:27 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/LKR112_R3_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q LKR112_R3_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: 0.0513(86/1677) 
Model   1 Inconsistent score: 0.0751(126/1677) 
Model   2 Inconsistent score: 0.0423(71/1677) 
Model   3 Inconsistent score: 0.0435(73/1677) 
Model   4 Inconsistent score: 0.062(104/1677) 
Model   5 Inconsistent score: 0.0626(105/1677) 
Model   6 Inconsistent score: 0.0626(105/1677) 
Model   7 Inconsistent score: 0.0477(80/1677) 
Model   8 Inconsistent score: 0.0543(91/1677) 
Model   9 Inconsistent score: 0.0465(78/1677) 
Model  10 Inconsistent score: 0.0561(94/1677) 
Model  11 Inconsistent score: 0.0566(95/1677) 
Model  12 Inconsistent score: 0.059(99/1677) 
Model  13 Inconsistent score: 0.0394(66/1677) 
Model  14 Inconsistent score: 0.0531(89/1677) 
Model  15 Inconsistent score: 0.0495(83/1677) 
Model  16 Inconsistent score: 0.0531(89/1677) 
Model  17 Inconsistent score: 0.0531(89/1677) 
Model  18 Inconsistent score: 0.0549(92/1677) 
Model  19 Inconsistent score: 0.0525(88/1677) 
Model  20 Inconsistent score: 0.0531(89/1677) 
Model ave  Missing interactions: 0.14 (216/1540)
              weighted: 0.0133 (5.08e+04/3.81e+06)
                    <3: 0.012 (2/167)
                   <3w: 0.00262 (2.89e+03/1.1e+06)
Model   1  Missing interactions: 0.2 (332/1657)
              weighted: 0.048 (2.26e+05/4.71e+06)
                    <3: 0.00592 (1/169)
                   <3w: 0.00174 (1.95e+03/1.12e+06)
Model   2  Missing interactions: 0.167 (275/1644)
              weighted: 0.0229 (1.03e+05/4.51e+06)
                    <3: 0.00581 (1/172)
                   <3w: 0.00168 (1.83e+03/1.09e+06)
Model   3  Missing interactions: 0.199 (342/1719)
              weighted: 0.0261 (1.19e+05/4.57e+06)
                    <3: 0.00592 (1/169)
                   <3w: 0.00172 (1.91e+03/1.11e+06)
Model   4  Missing interactions: 0.213 (370/1741)
              weighted: 0.0388 (1.84e+05/4.73e+06)
                    <3: 0.00595 (1/168)
                   <3w: 0.00168 (1.91e+03/1.13e+06)
Model   5  Missing interactions: 0.191 (321/1678)
              weighted: 0.0416 (1.92e+05/4.6e+06)
                    <3: 0.00599 (1/167)
                   <3w: 0.00404 (4.4e+03/1.09e+06)
Model   6  Missing interactions: 0.184 (300/1630)
              weighted: 0.028 (1.31e+05/4.67e+06)
                    <3: 0.00602 (1/166)
                   <3w: 0.00167 (1.87e+03/1.11e+06)
Model   7  Missing interactions: 0.2 (344/1719)
              weighted: 0.0339 (1.58e+05/4.65e+06)
                    <3: 0.00595 (1/168)
                   <3w: 0.0042 (4.62e+03/1.1e+06)
Model   8  Missing interactions: 0.193 (327/1691)
              weighted: 0.0348 (1.63e+05/4.68e+06)
                    <3: 0.00602 (1/166)
                   <3w: 0.00175 (1.91e+03/1.09e+06)
Model   9  Missing interactions: 0.177 (293/1653)
              weighted: 0.0283 (1.32e+05/4.66e+06)
                    <3: 0.00595 (1/168)
                   <3w: 0.00159 (1.79e+03/1.13e+06)
Model  10  Missing interactions: 0.189 (317/1675)
              weighted: 0.026 (1.18e+05/4.55e+06)
                    <3: 0.00588 (1/170)
                   <3w: 0.00168 (1.87e+03/1.11e+06)
Model  11  Missing interactions: 0.188 (318/1689)
              weighted: 0.0373 (1.74e+05/4.66e+06)
                    <3: 0.00592 (1/169)
                   <3w: 0.00385 (4.2e+03/1.09e+06)
Model  12  Missing interactions: 0.194 (327/1682)
              weighted: 0.0301 (1.42e+05/4.73e+06)
                    <3: 0.00588 (1/170)
                   <3w: 0.00172 (1.87e+03/1.09e+06)
Model  13  Missing interactions: 0.193 (336/1741)
              weighted: 0.0439 (2.09e+05/4.77e+06)
                    <3: 0.00592 (1/169)
                   <3w: 0.00166 (1.87e+03/1.12e+06)
Model  14  Missing interactions: 0.187 (314/1680)
              weighted: 0.0213 (9.8e+04/4.61e+06)
                    <3: 0.00588 (1/170)
                   <3w: 0.00359 (4e+03/1.11e+06)
Model  15  Missing interactions: 0.191 (325/1701)
              weighted: 0.0306 (1.42e+05/4.66e+06)
                    <3: 0.00602 (1/166)
                   <3w: 0.0017 (1.87e+03/1.1e+06)
Model  16  Missing interactions: 0.187 (312/1672)
              weighted: 0.0247 (1.15e+05/4.67e+06)
                    <3: 0.00595 (1/168)
                   <3w: 0.00166 (1.83e+03/1.1e+06)
Model  17  Missing interactions: 0.195 (331/1697)
              weighted: 0.0347 (1.56e+05/4.51e+06)
                    <3: 0.00592 (1/169)
                   <3w: 0.00167 (1.87e+03/1.12e+06)
Model  18  Missing interactions: 0.189 (316/1675)
              weighted: 0.027 (1.23e+05/4.56e+06)
                    <3: 0.00585 (1/171)
                   <3w: 0.0037 (4.1e+03/1.11e+06)
Model  19  Missing interactions: 0.188 (317/1687)
              weighted: 0.0289 (1.34e+05/4.63e+06)
                    <3: 0.00599 (1/167)
                   <3w: 0.00159 (1.79e+03/1.12e+06)
Model  20  Missing interactions: 0.185 (310/1673)
              weighted: 0.0277 (1.26e+05/4.57e+06)
                    <3: 0.0118 (2/169)
                   <3w: 0.00179 (1.97e+03/1.1e+06)

Model ave
 Recall: 0.949
 Precision: 
       all: 0.86  allw: 0.987
        <3: 0.988  <3w: 0.997

 F-measure:(Recall,Precision)  0.902
 F-measure:(Recall,PrecisionW) 0.967

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

Model 1
 Recall: 0.925
 Precision: 
       all: 0.8  allw: 0.952
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.858
 F-measure:(Recall,PrecisionW) 0.938

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

Model 2
 Recall: 0.958
 Precision: 
       all: 0.833  allw: 0.977
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.891
 F-measure:(Recall,PrecisionW) 0.967

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

Model 3
 Recall: 0.956
 Precision: 
       all: 0.801  allw: 0.974
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.872
 F-measure:(Recall,PrecisionW) 0.965

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

Model 4
 Recall: 0.938
 Precision: 
       all: 0.787  allw: 0.961
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.856
 F-measure:(Recall,PrecisionW) 0.949

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

Model 5
 Recall: 0.937
 Precision: 
       all: 0.809  allw: 0.958
        <3: 0.994  <3w: 0.996

 F-measure:(Recall,Precision)  0.868
 F-measure:(Recall,PrecisionW) 0.948

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

Model 6
 Recall: 0.937
 Precision: 
       all: 0.816  allw: 0.972
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.872
 F-measure:(Recall,PrecisionW) 0.954

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

Model 7
 Recall: 0.952
 Precision: 
       all: 0.8  allw: 0.966
        <3: 0.994  <3w: 0.996

 F-measure:(Recall,Precision)  0.869
 F-measure:(Recall,PrecisionW) 0.959

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

Model 8
 Recall: 0.946
 Precision: 
       all: 0.807  allw: 0.965
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.871
 F-measure:(Recall,PrecisionW) 0.955

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

Model 9
 Recall: 0.953
 Precision: 
       all: 0.823  allw: 0.972
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.883
 F-measure:(Recall,PrecisionW) 0.963

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

Model 10
 Recall: 0.944
 Precision: 
       all: 0.811  allw: 0.974
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.872
 F-measure:(Recall,PrecisionW) 0.959

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

Model 11
 Recall: 0.943
 Precision: 
       all: 0.812  allw: 0.963
        <3: 0.994  <3w: 0.996

 F-measure:(Recall,Precision)  0.873
 F-measure:(Recall,PrecisionW) 0.953

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

Model 12
 Recall: 0.941
 Precision: 
       all: 0.806  allw: 0.97
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.868
 F-measure:(Recall,PrecisionW) 0.955

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

Model 13
 Recall: 0.961
 Precision: 
       all: 0.807  allw: 0.956
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.877
 F-measure:(Recall,PrecisionW) 0.958

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

Model 14
 Recall: 0.947
 Precision: 
       all: 0.813  allw: 0.979
        <3: 0.994  <3w: 0.996

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

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

Model 15
 Recall: 0.951
 Precision: 
       all: 0.809  allw: 0.969
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.874
 F-measure:(Recall,PrecisionW) 0.96

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

Model 16
 Recall: 0.947
 Precision: 
       all: 0.813  allw: 0.975
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.875
 F-measure:(Recall,PrecisionW) 0.961

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

Model 17
 Recall: 0.947
 Precision: 
       all: 0.805  allw: 0.965
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.87
 F-measure:(Recall,PrecisionW) 0.956

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

Model 18
 Recall: 0.945
 Precision: 
       all: 0.811  allw: 0.973
        <3: 0.994  <3w: 0.996

 F-measure:(Recall,Precision)  0.873
 F-measure:(Recall,PrecisionW) 0.959

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

Model 19
 Recall: 0.948
 Precision: 
       all: 0.812  allw: 0.971
        <3: 0.994  <3w: 0.998

 F-measure:(Recall,Precision)  0.875
 F-measure:(Recall,PrecisionW) 0.959

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

Model 20
 Recall: 0.947
 Precision: 
       all: 0.815  allw: 0.972
        <3: 0.988  <3w: 0.998

 F-measure:(Recall,Precision)  0.876
 F-measure:(Recall,PrecisionW) 0.959

 F-measure:(0,PrecisionIdeal)  0.994
 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: 0.0258(92/3559) 
Model   1 Inconsistent score: 0.034(121/3559) 
Model   2 Inconsistent score: 0.0214(76/3559) 
Model   3 Inconsistent score: 0.0219(78/3559) 
Model   4 Inconsistent score: 0.025(89/3559) 
Model   5 Inconsistent score: 0.0309(110/3559) 
Model   6 Inconsistent score: 0.0256(91/3559) 
Model   7 Inconsistent score: 0.0278(99/3559) 
Model   8 Inconsistent score: 0.0284(101/3559) 
Model   9 Inconsistent score: 0.0244(87/3559) 
Model  10 Inconsistent score: 0.0233(83/3559) 
Model  11 Inconsistent score: 0.0233(83/3559) 
Model  12 Inconsistent score: 0.0275(98/3559) 
Model  13 Inconsistent score: 0.0185(66/3559) 
Model  14 Inconsistent score: 0.0211(75/3559) 
Model  15 Inconsistent score: 0.0225(80/3559) 
Model  16 Inconsistent score: 0.025(89/3559) 
Model  17 Inconsistent score: 0.0194(69/3559) 
Model  18 Inconsistent score: 0.0211(75/3559) 
Model  19 Inconsistent score: 0.0287(102/3559) 
Model  20 Inconsistent score: 0.0205(73/3559) 
Model ave  Missing interactions: 0.353 (1.61e+03/4578)
              weighted: 0.051 (6.28e+05/1.23e+07)
                    <3: 0.0278 (18/648)
                   <3w: 0.0157 (1.08e+05/6.85e+06)
Model   1  Missing interactions: 0.401 (2.06e+03/5152)
              weighted: 0.0938 (1.43e+06/1.52e+07)
                    <3: 0.0276 (18/651)
                   <3w: 0.0131 (9.11e+04/6.95e+06)
Model   2  Missing interactions: 0.393 (2.02e+03/5133)
              weighted: 0.0807 (1.23e+06/1.52e+07)
                    <3: 0.0276 (18/652)
                   <3w: 0.0133 (9.13e+04/6.86e+06)
Model   3  Missing interactions: 0.398 (2.09e+03/5256)
              weighted: 0.0926 (1.4e+06/1.51e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.0173 (1.21e+05/6.99e+06)
Model   4  Missing interactions: 0.405 (2.16e+03/5323)
              weighted: 0.0915 (1.42e+06/1.55e+07)
                    <3: 0.0278 (18/648)
                   <3w: 0.0147 (1.01e+05/6.89e+06)
Model   5  Missing interactions: 0.387 (1.93e+03/4980)
              weighted: 0.0818 (1.21e+06/1.48e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.0151 (1.05e+05/6.91e+06)
Model   6  Missing interactions: 0.391 (1.98e+03/5076)
              weighted: 0.0877 (1.32e+06/1.51e+07)
                    <3: 0.0278 (18/648)
                   <3w: 0.0155 (1.07e+05/6.89e+06)
Model   7  Missing interactions: 0.399 (2.08e+03/5197)
              weighted: 0.0959 (1.47e+06/1.53e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.0134 (9.23e+04/6.87e+06)
Model   8  Missing interactions: 0.405 (2.12e+03/5225)
              weighted: 0.0974 (1.45e+06/1.49e+07)
                    <3: 0.0278 (18/648)
                   <3w: 0.0132 (9.07e+04/6.88e+06)
Model   9  Missing interactions: 0.385 (1.91e+03/4966)
              weighted: 0.0825 (1.25e+06/1.51e+07)
                    <3: 0.0277 (18/650)
                   <3w: 0.0166 (1.15e+05/6.95e+06)
Model  10  Missing interactions: 0.4 (2.1e+03/5246)
              weighted: 0.0944 (1.44e+06/1.52e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.0154 (1.07e+05/6.95e+06)
Model  11  Missing interactions: 0.392 (2.01e+03/5114)
              weighted: 0.086 (1.27e+06/1.48e+07)
                    <3: 0.0276 (18/651)
                   <3w: 0.0133 (9.14e+04/6.89e+06)
Model  12  Missing interactions: 0.405 (2.14e+03/5280)
              weighted: 0.106 (1.62e+06/1.53e+07)
                    <3: 0.0276 (18/651)
                   <3w: 0.0154 (1.06e+05/6.89e+06)
Model  13  Missing interactions: 0.401 (2.16e+03/5387)
              weighted: 0.0925 (1.42e+06/1.54e+07)
                    <3: 0.0277 (18/650)
                   <3w: 0.0148 (1.03e+05/6.95e+06)
Model  14  Missing interactions: 0.395 (2.06e+03/5219)
              weighted: 0.0795 (1.2e+06/1.51e+07)
                    <3: 0.0277 (18/650)
                   <3w: 0.0136 (9.37e+04/6.9e+06)
Model  15  Missing interactions: 0.392 (2.03e+03/5168)
              weighted: 0.0973 (1.49e+06/1.53e+07)
                    <3: 0.0277 (18/650)
                   <3w: 0.0132 (9.1e+04/6.9e+06)
Model  16  Missing interactions: 0.393 (1.98e+03/5054)
              weighted: 0.0832 (1.25e+06/1.51e+07)
                    <3: 0.0277 (18/650)
                   <3w: 0.0149 (1.03e+05/6.91e+06)
Model  17  Missing interactions: 0.406 (2.14e+03/5269)
              weighted: 0.0865 (1.32e+06/1.53e+07)
                    <3: 0.0278 (18/648)
                   <3w: 0.0153 (1.05e+05/6.88e+06)
Model  18  Missing interactions: 0.392 (2.03e+03/5167)
              weighted: 0.0872 (1.32e+06/1.52e+07)
                    <3: 0.0276 (18/651)
                   <3w: 0.0131 (9.12e+04/6.96e+06)
Model  19  Missing interactions: 0.392 (2.01e+03/5130)
              weighted: 0.0862 (1.31e+06/1.51e+07)
                    <3: 0.0278 (18/647)
                   <3w: 0.0152 (1.04e+05/6.86e+06)
Model  20  Missing interactions: 0.397 (2.07e+03/5225)
              weighted: 0.078 (1.18e+06/1.52e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.0129 (8.88e+04/6.91e+06)

Model ave
 Recall: 0.974
 Precision: 
       all: 0.647  allw: 0.949
        <3: 0.972  <3w: 0.984

 F-measure:(Recall,Precision)  0.778
 F-measure:(Recall,PrecisionW) 0.961

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

Model 1
 Recall: 0.966
 Precision: 
       all: 0.599  allw: 0.906
        <3: 0.972  <3w: 0.987

 F-measure:(Recall,Precision)  0.74
 F-measure:(Recall,PrecisionW) 0.935

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

Model 2
 Recall: 0.979
 Precision: 
       all: 0.607  allw: 0.919
        <3: 0.972  <3w: 0.987

 F-measure:(Recall,Precision)  0.75
 F-measure:(Recall,PrecisionW) 0.948

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

Model 3
 Recall: 0.978
 Precision: 
       all: 0.602  allw: 0.907
        <3: 0.972  <3w: 0.983

 F-measure:(Recall,Precision)  0.745
 F-measure:(Recall,PrecisionW) 0.941

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

Model 4
 Recall: 0.975
 Precision: 
       all: 0.595  allw: 0.908
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.739
 F-measure:(Recall,PrecisionW) 0.941

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

Model 5
 Recall: 0.969
 Precision: 
       all: 0.613  allw: 0.918
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.751
 F-measure:(Recall,PrecisionW) 0.943

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

Model 6
 Recall: 0.974
 Precision: 
       all: 0.609  allw: 0.912
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.75
 F-measure:(Recall,PrecisionW) 0.942

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

Model 7
 Recall: 0.972
 Precision: 
       all: 0.601  allw: 0.904
        <3: 0.972  <3w: 0.987

 F-measure:(Recall,Precision)  0.743
 F-measure:(Recall,PrecisionW) 0.937

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

Model 8
 Recall: 0.972
 Precision: 
       all: 0.595  allw: 0.903
        <3: 0.972  <3w: 0.987

 F-measure:(Recall,Precision)  0.738
 F-measure:(Recall,PrecisionW) 0.936

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

Model 9
 Recall: 0.976
 Precision: 
       all: 0.615  allw: 0.918
        <3: 0.972  <3w: 0.983

 F-measure:(Recall,Precision)  0.754
 F-measure:(Recall,PrecisionW) 0.946

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

Model 10
 Recall: 0.977
 Precision: 
       all: 0.6  allw: 0.906
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.743
 F-measure:(Recall,PrecisionW) 0.94

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

Model 11
 Recall: 0.977
 Precision: 
       all: 0.608  allw: 0.914
        <3: 0.972  <3w: 0.987

 F-measure:(Recall,Precision)  0.749
 F-measure:(Recall,PrecisionW) 0.944

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

Model 12
 Recall: 0.972
 Precision: 
       all: 0.595  allw: 0.894
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.738
 F-measure:(Recall,PrecisionW) 0.932

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

Model 13
 Recall: 0.981
 Precision: 
       all: 0.599  allw: 0.908
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.744
 F-measure:(Recall,PrecisionW) 0.943

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

Model 14
 Recall: 0.979
 Precision: 
       all: 0.605  allw: 0.92
        <3: 0.972  <3w: 0.986

 F-measure:(Recall,Precision)  0.748
 F-measure:(Recall,PrecisionW) 0.949

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

Model 15
 Recall: 0.978
 Precision: 
       all: 0.608  allw: 0.903
        <3: 0.972  <3w: 0.987

 F-measure:(Recall,Precision)  0.75
 F-measure:(Recall,PrecisionW) 0.939

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

Model 16
 Recall: 0.975
 Precision: 
       all: 0.607  allw: 0.917
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.749
 F-measure:(Recall,PrecisionW) 0.945

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

Model 17
 Recall: 0.981
 Precision: 
       all: 0.594  allw: 0.913
        <3: 0.972  <3w: 0.985

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

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

Model 18
 Recall: 0.979
 Precision: 
       all: 0.608  allw: 0.913
        <3: 0.972  <3w: 0.987

 F-measure:(Recall,Precision)  0.75
 F-measure:(Recall,PrecisionW) 0.945

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

Model 19
 Recall: 0.971
 Precision: 
       all: 0.608  allw: 0.914
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.748
 F-measure:(Recall,PrecisionW) 0.942

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

Model 20
 Recall: 0.979
 Precision: 
       all: 0.603  allw: 0.922
        <3: 0.972  <3w: 0.987

 F-measure:(Recall,Precision)  0.747
 F-measure:(Recall,PrecisionW) 0.95

 F-measure:(0,PrecisionIdeal)  0.986
 F-measure:(0,PrecisionIdealW) 0.994

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: 0.282(50/177) 
Model   1 Inconsistent score: 0.186(33/177) 
Model   2 Inconsistent score: 0.124(22/177) 
Model   3 Inconsistent score: 0.102(18/177) 
Model   4 Inconsistent score: 0.107(19/177) 
Model   5 Inconsistent score: 0.198(35/177) 
Model   6 Inconsistent score: 0.102(18/177) 
Model   7 Inconsistent score: 0.186(33/177) 
Model   8 Inconsistent score: 0.158(28/177) 
Model   9 Inconsistent score: 0.175(31/177) 
Model  10 Inconsistent score: 0.0678(12/177) 
Model  11 Inconsistent score: 0.107(19/177) 
Model  12 Inconsistent score: 0.141(25/177) 
Model  13 Inconsistent score: 0.0791(14/177) 
Model  14 Inconsistent score: 0.0791(14/177) 
Model  15 Inconsistent score: 0.141(25/177) 
Model  16 Inconsistent score: 0.0904(16/177) 
Model  17 Inconsistent score: 0.0734(13/177) 
Model  18 Inconsistent score: 0.102(18/177) 
Model  19 Inconsistent score: 0.169(30/177) 
Model  20 Inconsistent score: 0.0678(12/177) 
Model ave  Missing interactions: 0.428 (77/180)
              weighted: 0.108 (1.38e+04/1.28e+05)
                    <3: 0.538 (7/13)
                   <3w: 0.0783 (1.07e+03/1.37e+04)
Model   1  Missing interactions: 0.556 (163/293)
              weighted: 0.27 (1.02e+05/3.78e+05)
                    <3: 0.5 (6/12)
                   <3w: 0.0741 (1.01e+03/1.36e+04)
Model   2  Missing interactions: 0.491 (137/279)
              weighted: 0.138 (4.78e+04/3.46e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0729 (1.01e+03/1.38e+04)
Model   3  Missing interactions: 0.473 (130/275)
              weighted: 0.127 (3.79e+04/2.98e+05)
                    <3: 0.5 (6/12)
                   <3w: 0.0741 (1.01e+03/1.36e+04)
Model   4  Missing interactions: 0.467 (128/274)
              weighted: 0.0952 (3e+04/3.16e+05)
                    <3: 0.5 (6/12)
                   <3w: 0.0741 (1.01e+03/1.36e+04)
Model   5  Missing interactions: 0.5 (119/238)
              weighted: 0.182 (5.06e+04/2.78e+05)
                    <3: 0.5 (6/12)
                   <3w: 0.0741 (1.01e+03/1.36e+04)
Model   6  Missing interactions: 0.469 (134/286)
              weighted: 0.134 (3.92e+04/2.93e+05)
                    <3: 0.5 (6/12)
                   <3w: 0.0745 (1.01e+03/1.36e+04)
Model   7  Missing interactions: 0.537 (145/270)
              weighted: 0.228 (5.84e+04/2.57e+05)
                    <3: 0.462 (6/13)
                   <3w: 0.0737 (1.01e+03/1.37e+04)
Model   8  Missing interactions: 0.536 (162/302)
              weighted: 0.223 (8.71e+04/3.91e+05)
                    <3: 0.5 (6/12)
                   <3w: 0.0745 (1.01e+03/1.36e+04)
Model   9  Missing interactions: 0.513 (136/265)
              weighted: 0.175 (4.78e+04/2.74e+05)
                    <3: 0.5 (6/12)
                   <3w: 0.0738 (1.01e+03/1.36e+04)
Model  10  Missing interactions: 0.463 (131/283)
              weighted: 0.161 (5.06e+04/3.14e+05)
                    <3: 0.462 (6/13)
                   <3w: 0.0741 (1.01e+03/1.37e+04)
Model  11  Missing interactions: 0.484 (133/275)
              weighted: 0.161 (5.57e+04/3.47e+05)
                    <3: 0.5 (6/12)
                   <3w: 0.0741 (1.01e+03/1.36e+04)
Model  12  Missing interactions: 0.496 (137/276)
              weighted: 0.283 (9.22e+04/3.26e+05)
                    <3: 0.462 (6/13)
                   <3w: 0.0727 (1.01e+03/1.39e+04)
Model  13  Missing interactions: 0.456 (123/270)
              weighted: 0.088 (2.91e+04/3.31e+05)
                    <3: 0.462 (6/13)
                   <3w: 0.0733 (1.01e+03/1.37e+04)
Model  14  Missing interactions: 0.462 (127/275)
              weighted: 0.12 (3.59e+04/2.99e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.073 (1.01e+03/1.38e+04)
Model  15  Missing interactions: 0.519 (147/283)
              weighted: 0.166 (5.02e+04/3.02e+05)
                    <3: 0.5 (6/12)
                   <3w: 0.0738 (1.01e+03/1.36e+04)
Model  16  Missing interactions: 0.471 (129/274)
              weighted: 0.117 (3.66e+04/3.13e+05)
                    <3: 0.5 (6/12)
                   <3w: 0.0741 (1.01e+03/1.36e+04)
Model  17  Missing interactions: 0.483 (140/290)
              weighted: 0.126 (4.86e+04/3.85e+05)
                    <3: 0.462 (6/13)
                   <3w: 0.0736 (1.01e+03/1.37e+04)
Model  18  Missing interactions: 0.455 (120/264)
              weighted: 0.103 (3.57e+04/3.48e+05)
                    <3: 0.429 (6/14)
                   <3w: 0.0733 (1.01e+03/1.38e+04)
Model  19  Missing interactions: 0.521 (139/267)
              weighted: 0.217 (6.03e+04/2.78e+05)
                    <3: 0.5 (6/12)
                   <3w: 0.0741 (1.01e+03/1.36e+04)
Model  20  Missing interactions: 0.463 (125/270)
              weighted: 0.12 (3.68e+04/3.07e+05)
                    <3: 0.5 (7/14)
                   <3w: 0.0778 (1.07e+03/1.38e+04)

Model ave
 Recall: 0.718
 Precision: 
       all: 0.572  allw: 0.892
        <3: 0.462  <3w: 0.922

 F-measure:(Recall,Precision)  0.637
 F-measure:(Recall,PrecisionW) 0.795

 F-measure:(0,PrecisionIdeal)  0.632
 F-measure:(0,PrecisionIdealW) 0.959

Model 1
 Recall: 0.814
 Precision: 
       all: 0.444  allw: 0.73
        <3: 0.5  <3w: 0.926

 F-measure:(Recall,Precision)  0.574
 F-measure:(Recall,PrecisionW) 0.77

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.962

Model 2
 Recall: 0.876
 Precision: 
       all: 0.509  allw: 0.862
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.644
 F-measure:(Recall,PrecisionW) 0.869

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

Model 3
 Recall: 0.898
 Precision: 
       all: 0.527  allw: 0.873
        <3: 0.5  <3w: 0.926

 F-measure:(Recall,Precision)  0.665
 F-measure:(Recall,PrecisionW) 0.885

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.962

Model 4
 Recall: 0.893
 Precision: 
       all: 0.533  allw: 0.905
        <3: 0.5  <3w: 0.926

 F-measure:(Recall,Precision)  0.667
 F-measure:(Recall,PrecisionW) 0.899

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.962

Model 5
 Recall: 0.802
 Precision: 
       all: 0.5  allw: 0.818
        <3: 0.5  <3w: 0.926

 F-measure:(Recall,Precision)  0.616
 F-measure:(Recall,PrecisionW) 0.81

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.962

Model 6
 Recall: 0.898
 Precision: 
       all: 0.531  allw: 0.866
        <3: 0.5  <3w: 0.926

 F-measure:(Recall,Precision)  0.668
 F-measure:(Recall,PrecisionW) 0.882

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.961

Model 7
 Recall: 0.814
 Precision: 
       all: 0.463  allw: 0.772
        <3: 0.538  <3w: 0.926

 F-measure:(Recall,Precision)  0.59
 F-measure:(Recall,PrecisionW) 0.792

 F-measure:(0,PrecisionIdeal)  0.7
 F-measure:(0,PrecisionIdealW) 0.962

Model 8
 Recall: 0.842
 Precision: 
       all: 0.464  allw: 0.777
        <3: 0.5  <3w: 0.926

 F-measure:(Recall,Precision)  0.598
 F-measure:(Recall,PrecisionW) 0.808

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.961

Model 9
 Recall: 0.825
 Precision: 
       all: 0.487  allw: 0.825
        <3: 0.5  <3w: 0.926

 F-measure:(Recall,Precision)  0.612
 F-measure:(Recall,PrecisionW) 0.825

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.962

Model 10
 Recall: 0.932
 Precision: 
       all: 0.537  allw: 0.839
        <3: 0.538  <3w: 0.926

 F-measure:(Recall,Precision)  0.682
 F-measure:(Recall,PrecisionW) 0.883

 F-measure:(0,PrecisionIdeal)  0.7
 F-measure:(0,PrecisionIdealW) 0.962

Model 11
 Recall: 0.893
 Precision: 
       all: 0.516  allw: 0.839
        <3: 0.5  <3w: 0.926

 F-measure:(Recall,Precision)  0.654
 F-measure:(Recall,PrecisionW) 0.865

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.962

Model 12
 Recall: 0.859
 Precision: 
       all: 0.504  allw: 0.717
        <3: 0.538  <3w: 0.927

 F-measure:(Recall,Precision)  0.635
 F-measure:(Recall,PrecisionW) 0.782

 F-measure:(0,PrecisionIdeal)  0.7
 F-measure:(0,PrecisionIdealW) 0.962

Model 13
 Recall: 0.921
 Precision: 
       all: 0.544  allw: 0.912
        <3: 0.538  <3w: 0.927

 F-measure:(Recall,Precision)  0.684
 F-measure:(Recall,PrecisionW) 0.916

 F-measure:(0,PrecisionIdeal)  0.7
 F-measure:(0,PrecisionIdealW) 0.962

Model 14
 Recall: 0.921
 Precision: 
       all: 0.538  allw: 0.88
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.679
 F-measure:(Recall,PrecisionW) 0.9

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

Model 15
 Recall: 0.859
 Precision: 
       all: 0.481  allw: 0.834
        <3: 0.5  <3w: 0.926

 F-measure:(Recall,Precision)  0.616
 F-measure:(Recall,PrecisionW) 0.846

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.962

Model 16
 Recall: 0.91
 Precision: 
       all: 0.529  allw: 0.883
        <3: 0.5  <3w: 0.926

 F-measure:(Recall,Precision)  0.669
 F-measure:(Recall,PrecisionW) 0.896

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.962

Model 17
 Recall: 0.927
 Precision: 
       all: 0.517  allw: 0.874
        <3: 0.538  <3w: 0.926

 F-measure:(Recall,Precision)  0.664
 F-measure:(Recall,PrecisionW) 0.899

 F-measure:(0,PrecisionIdeal)  0.7
 F-measure:(0,PrecisionIdealW) 0.962

Model 18
 Recall: 0.898
 Precision: 
       all: 0.545  allw: 0.897
        <3: 0.571  <3w: 0.927

 F-measure:(Recall,Precision)  0.679
 F-measure:(Recall,PrecisionW) 0.898

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

Model 19
 Recall: 0.831
 Precision: 
       all: 0.479  allw: 0.783
        <3: 0.5  <3w: 0.926

 F-measure:(Recall,Precision)  0.608
 F-measure:(Recall,PrecisionW) 0.806

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.962

Model 20
 Recall: 0.932
 Precision: 
       all: 0.537  allw: 0.88
        <3: 0.5  <3w: 0.922

 F-measure:(Recall,Precision)  0.681
 F-measure:(Recall,PrecisionW) 0.905

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.96

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: 0.958
 Final Precision-score for input query structures: 0.957

 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 1

 Final Recall-score for input query structures: 0.948
 Final Precision-score for input query structures: 0.914

 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:      0.931
 F-score of ideal true structures:       0.994
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.771

Model 2

 Final Recall-score for input query structures: 0.969
 Final Precision-score for input query structures: 0.931

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

 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:      0.95
 F-score of ideal true structures:       0.994
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.84

Model 3

 Final Recall-score for input query structures: 0.969
 Final Precision-score for input query structures: 0.922

 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:      0.945
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.828

Model 4

 Final Recall-score for input query structures: 0.961
 Final Precision-score for input query structures: 0.921

 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:      0.94
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.807

Model 5

 Final Recall-score for input query structures: 0.954
 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:      0.94
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.807

Model 6

 Final Recall-score for input query structures: 0.96
 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:      0.943
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.818

Model 7

 Final Recall-score for input query structures: 0.961
 Final Precision-score for input query structures: 0.917

 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:      0.938
 F-score of ideal true structures:       0.994
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.796

Model 8

 Final Recall-score for input query structures: 0.959
 Final Precision-score for input query structures: 0.915

 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:      0.937
 F-score of ideal true structures:       0.994
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.793

Model 9

 Final Recall-score for input query structures: 0.964
 Final Precision-score for input query structures: 0.929

 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:      0.946
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.828

Model 10

 Final Recall-score for input query structures: 0.965
 Final Precision-score for input query structures: 0.92

 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:      0.942
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.814

Model 11

 Final Recall-score for input query structures: 0.964
 Final Precision-score for input query structures: 0.924

 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:      0.943
 F-score of ideal true structures:       0.994
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.815

Model 12

 Final Recall-score for input query structures: 0.959
 Final Precision-score for input query structures: 0.909

 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:      0.933
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.781

Model 13

 Final Recall-score for input query structures: 0.973
 Final Precision-score for input query structures: 0.919

 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:      0.945
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.825

Model 14

 Final Recall-score for input query structures: 0.967
 Final Precision-score for input query structures: 0.933

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

 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:      0.95
 F-score of ideal true structures:       0.994
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.84

Model 15

 Final Recall-score for input query structures: 0.965
 Final Precision-score for input query structures: 0.917

 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:      0.941
 F-score of ideal true structures:       0.994
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.807

Model 16

 Final Recall-score for input query structures: 0.964
 Final Precision-score for input query structures: 0.93

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

 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:      0.947
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.832

Model 17

 Final Recall-score for input query structures: 0.968
 Final Precision-score for input query structures: 0.924

 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:      0.946
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.828

Model 18

 Final Recall-score for input query structures: 0.966
 Final Precision-score for input query structures: 0.926

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

 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:      0.946
 F-score of ideal true structures:       0.994
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.825

Model 19

 Final Recall-score for input query structures: 0.959
 Final Precision-score for input query structures: 0.925

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

 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:      0.942
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.814

Model 20

 Final Recall-score for input query structures: 0.968
 Final Precision-score for input query structures: 0.933

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.989

 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:       0.994
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.84

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

NOESY_Assign:
      User CPU Time:       66.7 sec.
      Syst CPU Time:       1.01 sec.
Other Processes:
      User CPU Time:       0.73 sec.
      Syst CPU Time:       0.06 sec.

Total Elapsed Time:       68.6 sec.