# created by  ASDP Version 1.0 Copyright(C) 2010
# Fri May 10 11:39:42 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/LKR112_NMR_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q LKR112_NMR_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: 0.0352(59/1677) 
Model   1 Inconsistent score: 0.0364(61/1677) 
Model   2 Inconsistent score: 0.034(57/1677) 
Model   3 Inconsistent score: 0.0376(63/1677) 
Model   4 Inconsistent score: 0.0352(59/1677) 
Model   5 Inconsistent score: 0.0388(65/1677) 
Model   6 Inconsistent score: 0.0388(65/1677) 
Model   7 Inconsistent score: 0.0423(71/1677) 
Model   8 Inconsistent score: 0.0405(68/1677) 
Model   9 Inconsistent score: 0.037(62/1677) 
Model  10 Inconsistent score: 0.0358(60/1677) 
Model  11 Inconsistent score: 0.0411(69/1677) 
Model  12 Inconsistent score: 0.0382(64/1677) 
Model  13 Inconsistent score: 0.037(62/1677) 
Model  14 Inconsistent score: 0.0364(61/1677) 
Model  15 Inconsistent score: 0.0334(56/1677) 
Model  16 Inconsistent score: 0.0423(71/1677) 
Model  17 Inconsistent score: 0.0388(65/1677) 
Model  18 Inconsistent score: 0.0429(72/1677) 
Model  19 Inconsistent score: 0.0358(60/1677) 
Model  20 Inconsistent score: 0.0394(66/1677) 
Model ave  Missing interactions: 0.163 (266/1636)
              weighted: 0.0155 (6.1e+04/3.93e+06)
                    <3: 0.0118 (2/170)
                   <3w: 0.00328 (3.79e+03/1.15e+06)
Model   1  Missing interactions: 0.189 (329/1738)
              weighted: 0.0235 (1.11e+05/4.73e+06)
                    <3: 0.0118 (2/169)
                   <3w: 0.00208 (2.48e+03/1.19e+06)
Model   2  Missing interactions: 0.182 (307/1686)
              weighted: 0.0193 (9.13e+04/4.73e+06)
                    <3: 0.0116 (2/172)
                   <3w: 0.00231 (2.77e+03/1.2e+06)
Model   3  Missing interactions: 0.186 (320/1718)
              weighted: 0.0292 (1.4e+05/4.78e+06)
                    <3: 0.0118 (2/170)
                   <3w: 0.00334 (3.88e+03/1.16e+06)
Model   4  Missing interactions: 0.178 (300/1682)
              weighted: 0.0274 (1.29e+05/4.72e+06)
                    <3: 0.0118 (2/170)
                   <3w: 0.00196 (2.28e+03/1.17e+06)
Model   5  Missing interactions: 0.176 (293/1664)
              weighted: 0.0308 (1.46e+05/4.75e+06)
                    <3: 0.0118 (2/170)
                   <3w: 0.00249 (2.89e+03/1.16e+06)
Model   6  Missing interactions: 0.184 (311/1686)
              weighted: 0.036 (1.69e+05/4.69e+06)
                    <3: 0.0118 (2/169)
                   <3w: 0.00192 (2.23e+03/1.16e+06)
Model   7  Missing interactions: 0.184 (309/1680)
              weighted: 0.0219 (1.05e+05/4.81e+06)
                    <3: 0.0117 (2/171)
                   <3w: 0.00188 (2.19e+03/1.17e+06)
Model   8  Missing interactions: 0.171 (286/1670)
              weighted: 0.0307 (1.46e+05/4.75e+06)
                    <3: 0.0117 (2/171)
                   <3w: 0.00521 (6.16e+03/1.18e+06)
Model   9  Missing interactions: 0.183 (306/1668)
              weighted: 0.0286 (1.36e+05/4.75e+06)
                    <3: 0.0118 (2/169)
                   <3w: 0.00227 (2.71e+03/1.19e+06)
Model  10  Missing interactions: 0.192 (327/1703)
              weighted: 0.0215 (1.01e+05/4.71e+06)
                    <3: 0.0118 (2/169)
                   <3w: 0.00592 (7e+03/1.18e+06)
Model  11  Missing interactions: 0.174 (288/1656)
              weighted: 0.0227 (1.07e+05/4.71e+06)
                    <3: 0.0116 (2/172)
                   <3w: 0.00296 (3.38e+03/1.14e+06)
Model  12  Missing interactions: 0.173 (287/1657)
              weighted: 0.019 (8.99e+04/4.72e+06)
                    <3: 0.0116 (2/172)
                   <3w: 0.00493 (5.86e+03/1.19e+06)
Model  13  Missing interactions: 0.166 (275/1656)
              weighted: 0.0356 (1.73e+05/4.86e+06)
                    <3: 0.0116 (2/173)
                   <3w: 0.00383 (4.47e+03/1.17e+06)
Model  14  Missing interactions: 0.175 (292/1671)
              weighted: 0.0234 (1.13e+05/4.83e+06)
                    <3: 0.0117 (2/171)
                   <3w: 0.00357 (4.16e+03/1.17e+06)
Model  15  Missing interactions: 0.185 (313/1693)
              weighted: 0.021 (1.01e+05/4.81e+06)
                    <3: 0.0117 (2/171)
                   <3w: 0.00352 (4.16e+03/1.18e+06)
Model  16  Missing interactions: 0.18 (300/1663)
              weighted: 0.0194 (9e+04/4.64e+06)
                    <3: 0.0117 (2/171)
                   <3w: 0.00288 (3.38e+03/1.17e+06)
Model  17  Missing interactions: 0.183 (309/1688)
              weighted: 0.0217 (1.04e+05/4.78e+06)
                    <3: 0.0116 (2/172)
                   <3w: 0.00498 (5.71e+03/1.15e+06)
Model  18  Missing interactions: 0.18 (301/1668)
              weighted: 0.0282 (1.34e+05/4.75e+06)
                    <3: 0.0118 (2/169)
                   <3w: 0.00476 (5.71e+03/1.2e+06)
Model  19  Missing interactions: 0.158 (258/1635)
              weighted: 0.0213 (1.02e+05/4.76e+06)
                    <3: 0.0118 (2/170)
                   <3w: 0.00193 (2.33e+03/1.2e+06)
Model  20  Missing interactions: 0.177 (298/1681)
              weighted: 0.0212 (9.98e+04/4.71e+06)
                    <3: 0.0118 (2/170)
                   <3w: 0.00198 (2.23e+03/1.13e+06)

Model ave
 Recall: 0.965
 Precision: 
       all: 0.837  allw: 0.984
        <3: 0.988  <3w: 0.997

 F-measure:(Recall,Precision)  0.897
 F-measure:(Recall,PrecisionW) 0.975

 F-measure:(0,PrecisionIdeal)  0.994
 F-measure:(0,PrecisionIdealW) 0.998

Model 1
 Recall: 0.964
 Precision: 
       all: 0.811  allw: 0.976
        <3: 0.988  <3w: 0.998

 F-measure:(Recall,Precision)  0.881
 F-measure:(Recall,PrecisionW) 0.97

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

Model 2
 Recall: 0.966
 Precision: 
       all: 0.818  allw: 0.981
        <3: 0.988  <3w: 0.998

 F-measure:(Recall,Precision)  0.886
 F-measure:(Recall,PrecisionW) 0.973

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

Model 3
 Recall: 0.962
 Precision: 
       all: 0.814  allw: 0.971
        <3: 0.988  <3w: 0.997

 F-measure:(Recall,Precision)  0.882
 F-measure:(Recall,PrecisionW) 0.967

 F-measure:(0,PrecisionIdeal)  0.994
 F-measure:(0,PrecisionIdealW) 0.998

Model 4
 Recall: 0.965
 Precision: 
       all: 0.822  allw: 0.973
        <3: 0.988  <3w: 0.998

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

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

Model 5
 Recall: 0.961
 Precision: 
       all: 0.824  allw: 0.969
        <3: 0.988  <3w: 0.998

 F-measure:(Recall,Precision)  0.887
 F-measure:(Recall,PrecisionW) 0.965

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

Model 6
 Recall: 0.961
 Precision: 
       all: 0.816  allw: 0.964
        <3: 0.988  <3w: 0.998

 F-measure:(Recall,Precision)  0.882
 F-measure:(Recall,PrecisionW) 0.963

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

Model 7
 Recall: 0.958
 Precision: 
       all: 0.816  allw: 0.978
        <3: 0.988  <3w: 0.998

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

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

Model 8
 Recall: 0.959
 Precision: 
       all: 0.829  allw: 0.969
        <3: 0.988  <3w: 0.995

 F-measure:(Recall,Precision)  0.889
 F-measure:(Recall,PrecisionW) 0.964

 F-measure:(0,PrecisionIdeal)  0.994
 F-measure:(0,PrecisionIdealW) 0.997

Model 9
 Recall: 0.963
 Precision: 
       all: 0.817  allw: 0.971
        <3: 0.988  <3w: 0.998

 F-measure:(Recall,Precision)  0.884
 F-measure:(Recall,PrecisionW) 0.967

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

Model 10
 Recall: 0.964
 Precision: 
       all: 0.808  allw: 0.979
        <3: 0.988  <3w: 0.994

 F-measure:(Recall,Precision)  0.879
 F-measure:(Recall,PrecisionW) 0.971

 F-measure:(0,PrecisionIdeal)  0.994
 F-measure:(0,PrecisionIdealW) 0.997

Model 11
 Recall: 0.959
 Precision: 
       all: 0.826  allw: 0.977
        <3: 0.988  <3w: 0.997

 F-measure:(Recall,Precision)  0.888
 F-measure:(Recall,PrecisionW) 0.968

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

Model 12
 Recall: 0.962
 Precision: 
       all: 0.827  allw: 0.981
        <3: 0.988  <3w: 0.995

 F-measure:(Recall,Precision)  0.889
 F-measure:(Recall,PrecisionW) 0.971

 F-measure:(0,PrecisionIdeal)  0.994
 F-measure:(0,PrecisionIdealW) 0.998

Model 13
 Recall: 0.963
 Precision: 
       all: 0.834  allw: 0.964
        <3: 0.988  <3w: 0.996

 F-measure:(Recall,Precision)  0.894
 F-measure:(Recall,PrecisionW) 0.964

 F-measure:(0,PrecisionIdeal)  0.994
 F-measure:(0,PrecisionIdealW) 0.998

Model 14
 Recall: 0.964
 Precision: 
       all: 0.825  allw: 0.977
        <3: 0.988  <3w: 0.996

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

 F-measure:(0,PrecisionIdeal)  0.994
 F-measure:(0,PrecisionIdealW) 0.998

Model 15
 Recall: 0.967
 Precision: 
       all: 0.815  allw: 0.979
        <3: 0.988  <3w: 0.996

 F-measure:(Recall,Precision)  0.884
 F-measure:(Recall,PrecisionW) 0.973

 F-measure:(0,PrecisionIdeal)  0.994
 F-measure:(0,PrecisionIdealW) 0.998

Model 16
 Recall: 0.958
 Precision: 
       all: 0.82  allw: 0.981
        <3: 0.988  <3w: 0.997

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

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

Model 17
 Recall: 0.961
 Precision: 
       all: 0.817  allw: 0.978
        <3: 0.988  <3w: 0.995

 F-measure:(Recall,Precision)  0.883
 F-measure:(Recall,PrecisionW) 0.97

 F-measure:(0,PrecisionIdeal)  0.994
 F-measure:(0,PrecisionIdealW) 0.998

Model 18
 Recall: 0.957
 Precision: 
       all: 0.82  allw: 0.972
        <3: 0.988  <3w: 0.995

 F-measure:(Recall,Precision)  0.883
 F-measure:(Recall,PrecisionW) 0.964

 F-measure:(0,PrecisionIdeal)  0.994
 F-measure:(0,PrecisionIdealW) 0.998

Model 19
 Recall: 0.964
 Precision: 
       all: 0.842  allw: 0.979
        <3: 0.988  <3w: 0.998

 F-measure:(Recall,Precision)  0.899
 F-measure:(Recall,PrecisionW) 0.971

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

Model 20
 Recall: 0.961
 Precision: 
       all: 0.823  allw: 0.979
        <3: 0.988  <3w: 0.998

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

 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: 0.0149(53/3559) 
Model   1 Inconsistent score: 0.014(50/3559) 
Model   2 Inconsistent score: 0.014(50/3559) 
Model   3 Inconsistent score: 0.0177(63/3559) 
Model   4 Inconsistent score: 0.0152(54/3559) 
Model   5 Inconsistent score: 0.0155(55/3559) 
Model   6 Inconsistent score: 0.0149(53/3559) 
Model   7 Inconsistent score: 0.0166(59/3559) 
Model   8 Inconsistent score: 0.0135(48/3559) 
Model   9 Inconsistent score: 0.0138(49/3559) 
Model  10 Inconsistent score: 0.0149(53/3559) 
Model  11 Inconsistent score: 0.0166(59/3559) 
Model  12 Inconsistent score: 0.0143(51/3559) 
Model  13 Inconsistent score: 0.0157(56/3559) 
Model  14 Inconsistent score: 0.0143(51/3559) 
Model  15 Inconsistent score: 0.0157(56/3559) 
Model  16 Inconsistent score: 0.0177(63/3559) 
Model  17 Inconsistent score: 0.0152(54/3559) 
Model  18 Inconsistent score: 0.016(57/3559) 
Model  19 Inconsistent score: 0.0146(52/3559) 
Model  20 Inconsistent score: 0.0177(63/3559) 
Model ave  Missing interactions: 0.361 (1.72e+03/4770)
              weighted: 0.0534 (6.82e+05/1.28e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.015 (1.05e+05/6.96e+06)
Model   1  Missing interactions: 0.383 (1.96e+03/5116)
              weighted: 0.0847 (1.29e+06/1.53e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.0154 (1.09e+05/7.07e+06)
Model   2  Missing interactions: 0.382 (1.92e+03/5022)
              weighted: 0.0777 (1.17e+06/1.51e+07)
                    <3: 0.0276 (18/651)
                   <3w: 0.0137 (9.66e+04/7.04e+06)
Model   3  Missing interactions: 0.387 (1.98e+03/5108)
              weighted: 0.0795 (1.19e+06/1.5e+07)
                    <3: 0.0277 (18/650)
                   <3w: 0.0147 (1.04e+05/7.05e+06)
Model   4  Missing interactions: 0.372 (1.84e+03/4939)
              weighted: 0.0719 (1.07e+06/1.48e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.0153 (1.08e+05/7.08e+06)
Model   5  Missing interactions: 0.375 (1.86e+03/4968)
              weighted: 0.0841 (1.27e+06/1.51e+07)
                    <3: 0.0277 (18/650)
                   <3w: 0.0159 (1.11e+05/6.98e+06)
Model   6  Missing interactions: 0.382 (1.9e+03/4989)
              weighted: 0.0814 (1.23e+06/1.52e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.0156 (1.1e+05/7.01e+06)
Model   7  Missing interactions: 0.379 (1.9e+03/5012)
              weighted: 0.0901 (1.39e+06/1.54e+07)
                    <3: 0.0276 (18/651)
                   <3w: 0.0157 (1.11e+05/7.08e+06)
Model   8  Missing interactions: 0.377 (1.86e+03/4945)
              weighted: 0.0691 (1.05e+06/1.51e+07)
                    <3: 0.0277 (18/650)
                   <3w: 0.0159 (1.12e+05/7.06e+06)
Model   9  Missing interactions: 0.376 (1.86e+03/4943)
              weighted: 0.0727 (1.08e+06/1.48e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.0157 (1.11e+05/7.06e+06)
Model  10  Missing interactions: 0.381 (1.89e+03/4956)
              weighted: 0.0833 (1.26e+06/1.52e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.0152 (1.08e+05/7.16e+06)
Model  11  Missing interactions: 0.37 (1.81e+03/4898)
              weighted: 0.0688 (1.03e+06/1.5e+07)
                    <3: 0.0276 (18/651)
                   <3w: 0.0154 (1.09e+05/7.05e+06)
Model  12  Missing interactions: 0.372 (1.84e+03/4959)
              weighted: 0.0777 (1.18e+06/1.52e+07)
                    <3: 0.0276 (18/651)
                   <3w: 0.0159 (1.12e+05/7.03e+06)
Model  13  Missing interactions: 0.374 (1.86e+03/4962)
              weighted: 0.0813 (1.23e+06/1.52e+07)
                    <3: 0.0276 (18/652)
                   <3w: 0.0153 (1.09e+05/7.14e+06)
Model  14  Missing interactions: 0.374 (1.83e+03/4893)
              weighted: 0.0703 (1.05e+06/1.49e+07)
                    <3: 0.0277 (18/650)
                   <3w: 0.0157 (1.1e+05/7.04e+06)
Model  15  Missing interactions: 0.381 (1.91e+03/5014)
              weighted: 0.0805 (1.24e+06/1.54e+07)
                    <3: 0.0277 (18/650)
                   <3w: 0.0152 (1.08e+05/7.1e+06)
Model  16  Missing interactions: 0.374 (1.83e+03/4888)
              weighted: 0.0762 (1.14e+06/1.49e+07)
                    <3: 0.0277 (18/650)
                   <3w: 0.0156 (1.1e+05/7.07e+06)
Model  17  Missing interactions: 0.378 (1.88e+03/4984)
              weighted: 0.0827 (1.24e+06/1.5e+07)
                    <3: 0.0276 (18/651)
                   <3w: 0.0137 (9.62e+04/7.03e+06)
Model  18  Missing interactions: 0.372 (1.84e+03/4964)
              weighted: 0.0774 (1.17e+06/1.51e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.0156 (1.1e+05/7.06e+06)
Model  19  Missing interactions: 0.377 (1.87e+03/4961)
              weighted: 0.0735 (1.09e+06/1.48e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.0154 (1.09e+05/7.07e+06)
Model  20  Missing interactions: 0.375 (1.86e+03/4958)
              weighted: 0.0785 (1.18e+06/1.5e+07)
                    <3: 0.0277 (18/649)
                   <3w: 0.0135 (9.49e+04/7.03e+06)

Model ave
 Recall: 0.985
 Precision: 
       all: 0.639  allw: 0.947
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.775
 F-measure:(Recall,PrecisionW) 0.965

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

Model 1
 Recall: 0.986
 Precision: 
       all: 0.617  allw: 0.915
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.759
 F-measure:(Recall,PrecisionW) 0.949

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

Model 2
 Recall: 0.986
 Precision: 
       all: 0.618  allw: 0.922
        <3: 0.972  <3w: 0.986

 F-measure:(Recall,Precision)  0.76
 F-measure:(Recall,PrecisionW) 0.953

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

Model 3
 Recall: 0.982
 Precision: 
       all: 0.613  allw: 0.921
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.755
 F-measure:(Recall,PrecisionW) 0.95

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

Model 4
 Recall: 0.985
 Precision: 
       all: 0.628  allw: 0.928
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.767
 F-measure:(Recall,PrecisionW) 0.956

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

Model 5
 Recall: 0.985
 Precision: 
       all: 0.625  allw: 0.916
        <3: 0.972  <3w: 0.984

 F-measure:(Recall,Precision)  0.764
 F-measure:(Recall,PrecisionW) 0.949

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

Model 6
 Recall: 0.985
 Precision: 
       all: 0.618  allw: 0.919
        <3: 0.972  <3w: 0.984

 F-measure:(Recall,Precision)  0.76
 F-measure:(Recall,PrecisionW) 0.951

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

Model 7
 Recall: 0.983
 Precision: 
       all: 0.621  allw: 0.91
        <3: 0.972  <3w: 0.984

 F-measure:(Recall,Precision)  0.762
 F-measure:(Recall,PrecisionW) 0.945

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

Model 8
 Recall: 0.987
 Precision: 
       all: 0.623  allw: 0.931
        <3: 0.972  <3w: 0.984

 F-measure:(Recall,Precision)  0.764
 F-measure:(Recall,PrecisionW) 0.958

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

Model 9
 Recall: 0.986
 Precision: 
       all: 0.624  allw: 0.927
        <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 10
 Recall: 0.985
 Precision: 
       all: 0.619  allw: 0.917
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.761
 F-measure:(Recall,PrecisionW) 0.95

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

Model 11
 Recall: 0.983
 Precision: 
       all: 0.63  allw: 0.931
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.768
 F-measure:(Recall,PrecisionW) 0.957

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

Model 12
 Recall: 0.986
 Precision: 
       all: 0.628  allw: 0.922
        <3: 0.972  <3w: 0.984

 F-measure:(Recall,Precision)  0.767
 F-measure:(Recall,PrecisionW) 0.953

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

Model 13
 Recall: 0.984
 Precision: 
       all: 0.626  allw: 0.919
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.765
 F-measure:(Recall,PrecisionW) 0.95

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

Model 14
 Recall: 0.986
 Precision: 
       all: 0.626  allw: 0.93
        <3: 0.972  <3w: 0.984

 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 15
 Recall: 0.984
 Precision: 
       all: 0.619  allw: 0.92
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.76
 F-measure:(Recall,PrecisionW) 0.951

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

Model 16
 Recall: 0.982
 Precision: 
       all: 0.626  allw: 0.924
        <3: 0.972  <3w: 0.984

 F-measure:(Recall,Precision)  0.765
 F-measure:(Recall,PrecisionW) 0.952

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

Model 17
 Recall: 0.985
 Precision: 
       all: 0.622  allw: 0.917
        <3: 0.972  <3w: 0.986

 F-measure:(Recall,Precision)  0.762
 F-measure:(Recall,PrecisionW) 0.95

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

Model 18
 Recall: 0.984
 Precision: 
       all: 0.628  allw: 0.923
        <3: 0.972  <3w: 0.984

 F-measure:(Recall,Precision)  0.767
 F-measure:(Recall,PrecisionW) 0.952

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

Model 19
 Recall: 0.985
 Precision: 
       all: 0.623  allw: 0.927
        <3: 0.972  <3w: 0.985

 F-measure:(Recall,Precision)  0.764
 F-measure:(Recall,PrecisionW) 0.955

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

Model 20
 Recall: 0.982
 Precision: 
       all: 0.625  allw: 0.921
        <3: 0.972  <3w: 0.987

 F-measure:(Recall,Precision)  0.764
 F-measure:(Recall,PrecisionW) 0.951

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

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: 0.0113(2/177) 
Model   1 Inconsistent score: 0.0282(5/177) 
Model   2 Inconsistent score: 0.0169(3/177) 
Model   3 Inconsistent score: 0.0113(2/177) 
Model   4 Inconsistent score: 0.0226(4/177) 
Model   5 Inconsistent score: 0.0282(5/177) 
Model   6 Inconsistent score: 0.0282(5/177) 
Model   7 Inconsistent score: 0.0339(6/177) 
Model   8 Inconsistent score: 0.0169(3/177) 
Model   9 Inconsistent score: 0.0508(9/177) 
Model  10 Inconsistent score: 0.0226(4/177) 
Model  11 Inconsistent score: 0.0395(7/177) 
Model  12 Inconsistent score: 0.0226(4/177) 
Model  13 Inconsistent score: 0.0282(5/177) 
Model  14 Inconsistent score: 0.0282(5/177) 
Model  15 Inconsistent score: 0.0282(5/177) 
Model  16 Inconsistent score: 0.0282(5/177) 
Model  17 Inconsistent score: 0.0452(8/177) 
Model  18 Inconsistent score: 0.0282(5/177) 
Model  19 Inconsistent score: 0.0169(3/177) 
Model  20 Inconsistent score: 0.0282(5/177) 
Model ave  Missing interactions: 0.361 (96/266)
              weighted: 0.0797 (1.91e+04/2.39e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.067 (1.09e+03/1.63e+04)
Model   1  Missing interactions: 0.346 (92/266)
              weighted: 0.0839 (2.45e+04/2.92e+05)
                    <3: 0.5 (7/14)
                   <3w: 0.0672 (1.09e+03/1.63e+04)
Model   2  Missing interactions: 0.391 (111/284)
              weighted: 0.089 (2.6e+04/2.92e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.0668 (1.09e+03/1.63e+04)
Model   3  Missing interactions: 0.39 (113/290)
              weighted: 0.0715 (2.52e+04/3.52e+05)
                    <3: 0.5 (7/14)
                   <3w: 0.0673 (1.1e+03/1.63e+04)
Model   4  Missing interactions: 0.375 (101/269)
              weighted: 0.118 (4.04e+04/3.44e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.0662 (1.09e+03/1.64e+04)
Model   5  Missing interactions: 0.355 (91/256)
              weighted: 0.0602 (1.99e+04/3.31e+05)
                    <3: 0.5 (7/14)
                   <3w: 0.0669 (1.09e+03/1.63e+04)
Model   6  Missing interactions: 0.413 (121/293)
              weighted: 0.0696 (2.76e+04/3.96e+05)
                    <3: 0.5 (7/14)
                   <3w: 0.0674 (1.1e+03/1.63e+04)
Model   7  Missing interactions: 0.403 (116/288)
              weighted: 0.0706 (2.5e+04/3.55e+05)
                    <3: 0.5 (7/14)
                   <3w: 0.0675 (1.1e+03/1.62e+04)
Model   8  Missing interactions: 0.386 (110/285)
              weighted: 0.105 (3.5e+04/3.33e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.0668 (1.1e+03/1.64e+04)
Model   9  Missing interactions: 0.38 (100/263)
              weighted: 0.0953 (3.3e+04/3.46e+05)
                    <3: 0.5 (7/14)
                   <3w: 0.0675 (1.09e+03/1.62e+04)
Model  10  Missing interactions: 0.38 (106/279)
              weighted: 0.0877 (3.53e+04/4.03e+05)
                    <3: 0.5 (7/14)
                   <3w: 0.0674 (1.1e+03/1.62e+04)
Model  11  Missing interactions: 0.379 (100/264)
              weighted: 0.0817 (2.59e+04/3.17e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.0671 (1.1e+03/1.63e+04)
Model  12  Missing interactions: 0.371 (95/256)
              weighted: 0.064 (1.86e+04/2.91e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.0668 (1.1e+03/1.64e+04)
Model  13  Missing interactions: 0.363 (95/262)
              weighted: 0.0762 (2.26e+04/2.96e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.067 (1.1e+03/1.63e+04)
Model  14  Missing interactions: 0.383 (101/264)
              weighted: 0.0821 (2.6e+04/3.17e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.067 (1.1e+03/1.64e+04)
Model  15  Missing interactions: 0.354 (91/257)
              weighted: 0.0795 (2.61e+04/3.28e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.0664 (1.09e+03/1.65e+04)
Model  16  Missing interactions: 0.38 (103/271)
              weighted: 0.0656 (2.41e+04/3.67e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.0666 (1.1e+03/1.65e+04)
Model  17  Missing interactions: 0.38 (105/276)
              weighted: 0.105 (3.45e+04/3.29e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.0666 (1.09e+03/1.63e+04)
Model  18  Missing interactions: 0.403 (112/278)
              weighted: 0.0969 (3.36e+04/3.47e+05)
                    <3: 0.5 (7/14)
                   <3w: 0.0674 (1.09e+03/1.62e+04)
Model  19  Missing interactions: 0.373 (100/268)
              weighted: 0.0706 (2.46e+04/3.49e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.0665 (1.09e+03/1.64e+04)
Model  20  Missing interactions: 0.388 (109/281)
              weighted: 0.076 (2.53e+04/3.33e+05)
                    <3: 0.467 (7/15)
                   <3w: 0.067 (1.09e+03/1.63e+04)

Model ave
 Recall: 0.989
 Precision: 
       all: 0.639  allw: 0.92
        <3: 0.533  <3w: 0.933

 F-measure:(Recall,Precision)  0.776
 F-measure:(Recall,PrecisionW) 0.953

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

Model 1
 Recall: 0.972
 Precision: 
       all: 0.654  allw: 0.916
        <3: 0.5  <3w: 0.933

 F-measure:(Recall,Precision)  0.782
 F-measure:(Recall,PrecisionW) 0.943

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.965

Model 2
 Recall: 0.983
 Precision: 
       all: 0.609  allw: 0.911
        <3: 0.533  <3w: 0.933

 F-measure:(Recall,Precision)  0.752
 F-measure:(Recall,PrecisionW) 0.946

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

Model 3
 Recall: 0.989
 Precision: 
       all: 0.61  allw: 0.929
        <3: 0.5  <3w: 0.933

 F-measure:(Recall,Precision)  0.755
 F-measure:(Recall,PrecisionW) 0.958

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.965

Model 4
 Recall: 0.977
 Precision: 
       all: 0.625  allw: 0.882
        <3: 0.533  <3w: 0.934

 F-measure:(Recall,Precision)  0.762
 F-measure:(Recall,PrecisionW) 0.927

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

Model 5
 Recall: 0.972
 Precision: 
       all: 0.645  allw: 0.94
        <3: 0.5  <3w: 0.933

 F-measure:(Recall,Precision)  0.775
 F-measure:(Recall,PrecisionW) 0.956

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.965

Model 6
 Recall: 0.972
 Precision: 
       all: 0.587  allw: 0.93
        <3: 0.5  <3w: 0.933

 F-measure:(Recall,Precision)  0.732
 F-measure:(Recall,PrecisionW) 0.951

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.965

Model 7
 Recall: 0.966
 Precision: 
       all: 0.597  allw: 0.929
        <3: 0.5  <3w: 0.933

 F-measure:(Recall,Precision)  0.738
 F-measure:(Recall,PrecisionW) 0.947

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.965

Model 8
 Recall: 0.983
 Precision: 
       all: 0.614  allw: 0.895
        <3: 0.533  <3w: 0.933

 F-measure:(Recall,Precision)  0.756
 F-measure:(Recall,PrecisionW) 0.937

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

Model 9
 Recall: 0.949
 Precision: 
       all: 0.62  allw: 0.905
        <3: 0.5  <3w: 0.933

 F-measure:(Recall,Precision)  0.75
 F-measure:(Recall,PrecisionW) 0.926

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.965

Model 10
 Recall: 0.977
 Precision: 
       all: 0.62  allw: 0.912
        <3: 0.5  <3w: 0.933

 F-measure:(Recall,Precision)  0.759
 F-measure:(Recall,PrecisionW) 0.944

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.965

Model 11
 Recall: 0.96
 Precision: 
       all: 0.621  allw: 0.918
        <3: 0.533  <3w: 0.933

 F-measure:(Recall,Precision)  0.754
 F-measure:(Recall,PrecisionW) 0.939

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

Model 12
 Recall: 0.977
 Precision: 
       all: 0.629  allw: 0.936
        <3: 0.533  <3w: 0.933

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

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

Model 13
 Recall: 0.972
 Precision: 
       all: 0.637  allw: 0.924
        <3: 0.533  <3w: 0.933

 F-measure:(Recall,Precision)  0.77
 F-measure:(Recall,PrecisionW) 0.947

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

Model 14
 Recall: 0.972
 Precision: 
       all: 0.617  allw: 0.918
        <3: 0.533  <3w: 0.933

 F-measure:(Recall,Precision)  0.755
 F-measure:(Recall,PrecisionW) 0.944

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

Model 15
 Recall: 0.972
 Precision: 
       all: 0.646  allw: 0.921
        <3: 0.533  <3w: 0.934

 F-measure:(Recall,Precision)  0.776
 F-measure:(Recall,PrecisionW) 0.945

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

Model 16
 Recall: 0.972
 Precision: 
       all: 0.62  allw: 0.934
        <3: 0.533  <3w: 0.933

 F-measure:(Recall,Precision)  0.757
 F-measure:(Recall,PrecisionW) 0.953

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

Model 17
 Recall: 0.955
 Precision: 
       all: 0.62  allw: 0.895
        <3: 0.533  <3w: 0.933

 F-measure:(Recall,Precision)  0.751
 F-measure:(Recall,PrecisionW) 0.924

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

Model 18
 Recall: 0.972
 Precision: 
       all: 0.597  allw: 0.903
        <3: 0.5  <3w: 0.933

 F-measure:(Recall,Precision)  0.74
 F-measure:(Recall,PrecisionW) 0.936

 F-measure:(0,PrecisionIdeal)  0.667
 F-measure:(0,PrecisionIdealW) 0.965

Model 19
 Recall: 0.983
 Precision: 
       all: 0.627  allw: 0.929
        <3: 0.533  <3w: 0.933

 F-measure:(Recall,Precision)  0.766
 F-measure:(Recall,PrecisionW) 0.955

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

Model 20
 Recall: 0.972
 Precision: 
       all: 0.612  allw: 0.924
        <3: 0.533  <3w: 0.933

 F-measure:(Recall,Precision)  0.751
 F-measure:(Recall,PrecisionW) 0.947

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

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: 0.955

 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:      0.967
 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:      0.953
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.854

Model 2

 Final Recall-score for input query structures: 0.98
 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 3

 Final Recall-score for input query structures: 0.976
 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:      0.954
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.858

Model 4

 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 5

 Final Recall-score for input query structures: 0.977
 Final Precision-score for input query structures: 0.929

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

 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:      0.952
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.85

Model 6

 Final Recall-score for input query structures: 0.977
 Final Precision-score for input query structures: 0.929

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

 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:      0.953
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.854

Model 7

 Final Recall-score for input query structures: 0.975
 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:      0.95
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.843

Model 8

 Final Recall-score for input query structures: 0.978
 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:      0.958
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.872

Model 9

 Final Recall-score for input query structures: 0.978
 Final Precision-score for input query structures: 0.937

 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 10

 Final Recall-score for input query structures: 0.978
 Final Precision-score for input query structures: 0.931

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

 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 11

 Final Recall-score for input query structures: 0.975
 Final Precision-score for input query structures: 0.942

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

 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 12

 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 13

 Final Recall-score for input query structures: 0.977
 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:      0.953
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.854

Model 14

 Final Recall-score for input query structures: 0.978
 Final Precision-score for input query structures: 0.941

 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 15

 Final Recall-score for input query structures: 0.978
 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 16

 Final Recall-score for input query structures: 0.974
 Final Precision-score for input query structures: 0.937

 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 17

 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: 0.987

 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:      0.953
 F-score of ideal true structures:       0.994
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.851

Model 18

 Final Recall-score for input query structures: 0.975
 Final Precision-score for input query structures: 0.934

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

 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 19

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

 DP-Score: 0.872

Model 20

 Final Recall-score for input query structures: 0.975
 Final Precision-score for input query structures: 0.935

 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:      0.955
 F-score of ideal true structures:       0.994
 F-score of freely-rotating-chain model: 0.719

 DP-Score: 0.858

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

NOESY_Assign:
      User CPU Time:       64.8 sec.
      Syst CPU Time:       0.98 sec.
Other Processes:
      User CPU Time:       0.77 sec.
      Syst CPU Time:       0.06 sec.

Total Elapsed Time:       66.7 sec.