# created by  ASDP Version 1.0 Copyright(C) 2010
# Tue May 14 14:26:20 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/MBR242E_R3Cons_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q MBR242E_R3Cons_em_bcr3.pdb.iupac 


# Summary for n.peaks
Total simulated peaks: 178 Number of peaks NOT matched in the Peak List: 26
M score = 0.15

Average shift in HX: 0.0068 Average ab-shift in HX: 0.0079(Assignment used: 111)
Average shift in X: 0.027 Average ab-shift in X: 0.049(Assignment used: 104)
Average shift in HX2: 0.00064 Average ab-shift in HX2: 0.01(Assignment used: 130)

#For peaklist n.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0145(12/826) 
Model   1 Inconsistent score: 0.0157(13/826) 
Model   2 Inconsistent score: 0.00969(8/826) 
Model   3 Inconsistent score: 0.0121(10/826) 
Model   4 Inconsistent score: 0.0121(10/826) 
Model   5 Inconsistent score: 0.0109(9/826) 
Model   6 Inconsistent score: 0.0133(11/826) 
Model   7 Inconsistent score: 0.0109(9/826) 
Model   8 Inconsistent score: 0.0145(12/826) 
Model   9 Inconsistent score: 0.00969(8/826) 
Model  10 Inconsistent score: 0.0133(11/826) 
Model  11 Inconsistent score: 0.0121(10/826) 
Model  12 Inconsistent score: 0.0121(10/826) 
Model  13 Inconsistent score: 0.00847(7/826) 
Model  14 Inconsistent score: 0.0133(11/826) 
Model  15 Inconsistent score: 0.0109(9/826) 
Model  16 Inconsistent score: 0.0109(9/826) 
Model  17 Inconsistent score: 0.00847(7/826) 
Model  18 Inconsistent score: 0.0133(11/826) 
Model ave  Missing interactions: 0.446 (746/1674)
              weighted: 0.102 (4.16e+05/4.08e+06)
                    <3: 0.0643 (11/171)
                   <3w: 0.0553 (6.36e+04/1.15e+06)
Model   1  Missing interactions: 0.46 (814/1769)
              weighted: 0.132 (6.02e+05/4.54e+06)
                    <3: 0.064 (11/172)
                   <3w: 0.0639 (7.29e+04/1.14e+06)
Model   2  Missing interactions: 0.47 (849/1806)
              weighted: 0.162 (7.42e+05/4.59e+06)
                    <3: 0.0636 (11/173)
                   <3w: 0.0687 (8.08e+04/1.18e+06)
Model   3  Missing interactions: 0.465 (825/1773)
              weighted: 0.121 (5.34e+05/4.43e+06)
                    <3: 0.0632 (11/174)
                   <3w: 0.0625 (7.3e+04/1.17e+06)
Model   4  Missing interactions: 0.46 (806/1752)
              weighted: 0.133 (6.11e+05/4.59e+06)
                    <3: 0.0636 (11/173)
                   <3w: 0.0539 (6.33e+04/1.17e+06)
Model   5  Missing interactions: 0.468 (830/1772)
              weighted: 0.134 (6.02e+05/4.48e+06)
                    <3: 0.0621 (11/177)
                   <3w: 0.0675 (7.75e+04/1.15e+06)
Model   6  Missing interactions: 0.46 (811/1764)
              weighted: 0.131 (5.91e+05/4.52e+06)
                    <3: 0.0632 (11/174)
                   <3w: 0.0512 (5.82e+04/1.14e+06)
Model   7  Missing interactions: 0.464 (826/1782)
              weighted: 0.129 (5.84e+05/4.52e+06)
                    <3: 0.0636 (11/173)
                   <3w: 0.0534 (6.16e+04/1.15e+06)
Model   8  Missing interactions: 0.462 (806/1744)
              weighted: 0.125 (5.59e+05/4.47e+06)
                    <3: 0.0621 (11/177)
                   <3w: 0.0691 (8.06e+04/1.17e+06)
Model   9  Missing interactions: 0.46 (813/1768)
              weighted: 0.132 (5.98e+05/4.53e+06)
                    <3: 0.0643 (11/171)
                   <3w: 0.0588 (6.7e+04/1.14e+06)
Model  10  Missing interactions: 0.46 (812/1766)
              weighted: 0.137 (6.3e+05/4.59e+06)
                    <3: 0.064 (11/172)
                   <3w: 0.0573 (6.51e+04/1.14e+06)
Model  11  Missing interactions: 0.461 (815/1767)
              weighted: 0.113 (5.02e+05/4.45e+06)
                    <3: 0.0629 (11/175)
                   <3w: 0.0594 (6.96e+04/1.17e+06)
Model  12  Missing interactions: 0.455 (796/1750)
              weighted: 0.122 (5.51e+05/4.53e+06)
                    <3: 0.0629 (11/175)
                   <3w: 0.0615 (7.13e+04/1.16e+06)
Model  13  Missing interactions: 0.473 (853/1803)
              weighted: 0.137 (6.21e+05/4.54e+06)
                    <3: 0.064 (11/172)
                   <3w: 0.0647 (7.43e+04/1.15e+06)
Model  14  Missing interactions: 0.461 (818/1774)
              weighted: 0.132 (5.98e+05/4.52e+06)
                    <3: 0.0625 (11/176)
                   <3w: 0.0626 (7.21e+04/1.15e+06)
Model  15  Missing interactions: 0.462 (812/1758)
              weighted: 0.123 (5.66e+05/4.59e+06)
                    <3: 0.064 (11/172)
                   <3w: 0.0613 (7.25e+04/1.18e+06)
Model  16  Missing interactions: 0.457 (800/1751)
              weighted: 0.133 (6.06e+05/4.57e+06)
                    <3: 0.0632 (11/174)
                   <3w: 0.0536 (6.26e+04/1.17e+06)
Model  17  Missing interactions: 0.467 (838/1796)
              weighted: 0.124 (5.52e+05/4.44e+06)
                    <3: 0.0618 (11/178)
                   <3w: 0.0606 (6.93e+04/1.14e+06)
Model  18  Missing interactions: 0.458 (806/1759)
              weighted: 0.14 (6.29e+05/4.51e+06)
                    <3: 0.0629 (11/175)
                   <3w: 0.0545 (6.18e+04/1.13e+06)

Model ave
 Recall: 0.985
 Precision: 
       all: 0.554  allw: 0.898
        <3: 0.936  <3w: 0.945

 F-measure:(Recall,Precision)  0.71
 F-measure:(Recall,PrecisionW) 0.94

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.972

Model 1
 Recall: 0.984
 Precision: 
       all: 0.54  allw: 0.868
        <3: 0.936  <3w: 0.936

 F-measure:(Recall,Precision)  0.697
 F-measure:(Recall,PrecisionW) 0.922

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.967

Model 2
 Recall: 0.99
 Precision: 
       all: 0.53  allw: 0.838
        <3: 0.936  <3w: 0.931

 F-measure:(Recall,Precision)  0.69
 F-measure:(Recall,PrecisionW) 0.908

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.964

Model 3
 Recall: 0.988
 Precision: 
       all: 0.535  allw: 0.879
        <3: 0.937  <3w: 0.937

 F-measure:(Recall,Precision)  0.694
 F-measure:(Recall,PrecisionW) 0.93

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.968

Model 4
 Recall: 0.988
 Precision: 
       all: 0.54  allw: 0.867
        <3: 0.936  <3w: 0.946

 F-measure:(Recall,Precision)  0.698
 F-measure:(Recall,PrecisionW) 0.924

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.972

Model 5
 Recall: 0.989
 Precision: 
       all: 0.532  allw: 0.866
        <3: 0.938  <3w: 0.932

 F-measure:(Recall,Precision)  0.692
 F-measure:(Recall,PrecisionW) 0.923

 F-measure:(0,PrecisionIdeal)  0.968
 F-measure:(0,PrecisionIdealW) 0.965

Model 6
 Recall: 0.987
 Precision: 
       all: 0.54  allw: 0.869
        <3: 0.937  <3w: 0.949

 F-measure:(Recall,Precision)  0.698
 F-measure:(Recall,PrecisionW) 0.924

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.974

Model 7
 Recall: 0.989
 Precision: 
       all: 0.536  allw: 0.871
        <3: 0.936  <3w: 0.947

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

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.973

Model 8
 Recall: 0.985
 Precision: 
       all: 0.538  allw: 0.875
        <3: 0.938  <3w: 0.931

 F-measure:(Recall,Precision)  0.696
 F-measure:(Recall,PrecisionW) 0.927

 F-measure:(0,PrecisionIdeal)  0.968
 F-measure:(0,PrecisionIdealW) 0.964

Model 9
 Recall: 0.99
 Precision: 
       all: 0.54  allw: 0.868
        <3: 0.936  <3w: 0.941

 F-measure:(Recall,Precision)  0.699
 F-measure:(Recall,PrecisionW) 0.925

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.97

Model 10
 Recall: 0.987
 Precision: 
       all: 0.54  allw: 0.863
        <3: 0.936  <3w: 0.943

 F-measure:(Recall,Precision)  0.698
 F-measure:(Recall,PrecisionW) 0.921

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.97

Model 11
 Recall: 0.988
 Precision: 
       all: 0.539  allw: 0.887
        <3: 0.937  <3w: 0.941

 F-measure:(Recall,Precision)  0.697
 F-measure:(Recall,PrecisionW) 0.935

 F-measure:(0,PrecisionIdeal)  0.968
 F-measure:(0,PrecisionIdealW) 0.969

Model 12
 Recall: 0.988
 Precision: 
       all: 0.545  allw: 0.878
        <3: 0.937  <3w: 0.939

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

 F-measure:(0,PrecisionIdeal)  0.968
 F-measure:(0,PrecisionIdealW) 0.968

Model 13
 Recall: 0.992
 Precision: 
       all: 0.527  allw: 0.863
        <3: 0.936  <3w: 0.935

 F-measure:(Recall,Precision)  0.688
 F-measure:(Recall,PrecisionW) 0.923

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.967

Model 14
 Recall: 0.987
 Precision: 
       all: 0.539  allw: 0.868
        <3: 0.938  <3w: 0.937

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

 F-measure:(0,PrecisionIdeal)  0.968
 F-measure:(0,PrecisionIdealW) 0.968

Model 15
 Recall: 0.989
 Precision: 
       all: 0.538  allw: 0.877
        <3: 0.936  <3w: 0.939

 F-measure:(Recall,Precision)  0.697
 F-measure:(Recall,PrecisionW) 0.93

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.968

Model 16
 Recall: 0.989
 Precision: 
       all: 0.543  allw: 0.867
        <3: 0.937  <3w: 0.946

 F-measure:(Recall,Precision)  0.701
 F-measure:(Recall,PrecisionW) 0.924

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.972

Model 17
 Recall: 0.992
 Precision: 
       all: 0.533  allw: 0.876
        <3: 0.938  <3w: 0.939

 F-measure:(Recall,Precision)  0.694
 F-measure:(Recall,PrecisionW) 0.93

 F-measure:(0,PrecisionIdeal)  0.968
 F-measure:(0,PrecisionIdealW) 0.969

Model 18
 Recall: 0.987
 Precision: 
       all: 0.542  allw: 0.86
        <3: 0.937  <3w: 0.946

 F-measure:(Recall,Precision)  0.699
 F-measure:(Recall,PrecisionW) 0.919

 F-measure:(0,PrecisionIdeal)  0.968
 F-measure:(0,PrecisionIdealW) 0.972

For freely-rotating-chain model:
Model ave Inconsistent score: 0.252(208/826) 
Model ave  Missing interactions: 0.247 (198/803)
              weighted: 0.114 (5.62e+04/4.94e+05)
                    <3: 0.0659 (11/167)
                   <3w: 0.059 (1.67e+04/2.83e+05)

 Recall: 0.748
 Precision: 
       all: 0.753  allw: 0.886

 F-measure:(RecallFree,PrecisionFree)  0.751
 F-measure:(ReallFree,PrecisionFreeW) 0.811

# Summary for c_aro.peaks
Total simulated peaks: 5 Number of peaks NOT matched in the Peak List: 1
M score = 0.2

Average shift in HX: 0.002 Average ab-shift in HX: 0.0033(Assignment used: 3)
Average shift in X: 0.037 Average ab-shift in X: 0.037(Assignment used: 3)
Average shift in HX2: -0.011 Average ab-shift in HX2: 0.015(Assignment used: 4)

#For peaklist c_aro.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0577(3/52) 
Model   1 Inconsistent score: 0.0385(2/52) 
Model   2 Inconsistent score: 0.0385(2/52) 
Model   3 Inconsistent score: 0.0385(2/52) 
Model   4 Inconsistent score: 0.0769(4/52) 
Model   5 Inconsistent score: 0.0962(5/52) 
Model   6 Inconsistent score: 0.0385(2/52) 
Model   7 Inconsistent score: 0.0577(3/52) 
Model   8 Inconsistent score: 0.0577(3/52) 
Model   9 Inconsistent score: 0.0192(1/52) 
Model  10 Inconsistent score: 0.0577(3/52) 
Model  11 Inconsistent score: 0.115(6/52) 
Model  12 Inconsistent score: 0.0385(2/52) 
Model  13 Inconsistent score: 0.0385(2/52) 
Model  14 Inconsistent score: 0.0577(3/52) 
Model  15 Inconsistent score: 0.0577(3/52) 
Model  16 Inconsistent score: 0.0577(3/52) 
Model  17 Inconsistent score: 0.0577(3/52) 
Model  18 Inconsistent score: 0.0385(2/52) 
Model ave  Missing interactions: 0.62 (98/158)
              weighted: 0.275 (4.37e+04/1.59e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model   1  Missing interactions: 0.63 (104/165)
              weighted: 0.24 (5.11e+04/2.13e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model   2  Missing interactions: 0.623 (104/167)
              weighted: 0.337 (7.55e+04/2.24e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model   3  Missing interactions: 0.619 (104/168)
              weighted: 0.341 (8.54e+04/2.5e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model   4  Missing interactions: 0.635 (99/156)
              weighted: 0.219 (5.03e+04/2.3e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model   5  Missing interactions: 0.631 (101/160)
              weighted: 0.311 (6.03e+04/1.94e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model   6  Missing interactions: 0.617 (103/167)
              weighted: 0.321 (6.71e+04/2.09e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model   7  Missing interactions: 0.631 (106/168)
              weighted: 0.301 (7.24e+04/2.4e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model   8  Missing interactions: 0.629 (100/159)
              weighted: 0.328 (6.74e+04/2.05e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model   9  Missing interactions: 0.608 (101/166)
              weighted: 0.273 (6.16e+04/2.26e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model  10  Missing interactions: 0.623 (104/167)
              weighted: 0.276 (6.14e+04/2.23e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model  11  Missing interactions: 0.633 (100/158)
              weighted: 0.257 (5.42e+04/2.11e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model  12  Missing interactions: 0.622 (97/156)
              weighted: 0.223 (4.77e+04/2.14e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model  13  Missing interactions: 0.62 (98/158)
              weighted: 0.344 (6.88e+04/2e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model  14  Missing interactions: 0.629 (105/167)
              weighted: 0.272 (6.21e+04/2.28e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model  15  Missing interactions: 0.621 (95/153)
              weighted: 0.355 (7.02e+04/1.97e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model  16  Missing interactions: 0.635 (106/167)
              weighted: 0.31 (6.47e+04/2.08e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model  17  Missing interactions: 0.603 (91/151)
              weighted: 0.267 (5.39e+04/2.02e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)
Model  18  Missing interactions: 0.627 (106/169)
              weighted: 0.322 (7.97e+04/2.48e+05)
                    <3: nan (0/0)
                   <3w: nan (0/0)

Model ave
 Recall: 0.942
 Precision: 
       all: 0.38  allw: 0.725
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.541
 F-measure:(Recall,PrecisionW) 0.82

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 1
 Recall: 0.962
 Precision: 
       all: 0.37  allw: 0.76
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.534
 F-measure:(Recall,PrecisionW) 0.849

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 2
 Recall: 0.962
 Precision: 
       all: 0.377  allw: 0.663
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.542
 F-measure:(Recall,PrecisionW) 0.785

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 3
 Recall: 0.962
 Precision: 
       all: 0.381  allw: 0.659
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.546
 F-measure:(Recall,PrecisionW) 0.782

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 4
 Recall: 0.923
 Precision: 
       all: 0.365  allw: 0.781
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.524
 F-measure:(Recall,PrecisionW) 0.846

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 5
 Recall: 0.904
 Precision: 
       all: 0.369  allw: 0.689
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.524
 F-measure:(Recall,PrecisionW) 0.782

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 6
 Recall: 0.962
 Precision: 
       all: 0.383  allw: 0.679
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.548
 F-measure:(Recall,PrecisionW) 0.796

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 7
 Recall: 0.942
 Precision: 
       all: 0.369  allw: 0.699
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.53
 F-measure:(Recall,PrecisionW) 0.802

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 8
 Recall: 0.942
 Precision: 
       all: 0.371  allw: 0.672
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.532
 F-measure:(Recall,PrecisionW) 0.784

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 9
 Recall: 0.981
 Precision: 
       all: 0.392  allw: 0.727
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.56
 F-measure:(Recall,PrecisionW) 0.835

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 10
 Recall: 0.942
 Precision: 
       all: 0.377  allw: 0.724
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.539
 F-measure:(Recall,PrecisionW) 0.819

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 11
 Recall: 0.885
 Precision: 
       all: 0.367  allw: 0.743
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.519
 F-measure:(Recall,PrecisionW) 0.807

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 12
 Recall: 0.962
 Precision: 
       all: 0.378  allw: 0.777
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.543
 F-measure:(Recall,PrecisionW) 0.86

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 13
 Recall: 0.962
 Precision: 
       all: 0.38  allw: 0.656
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.544
 F-measure:(Recall,PrecisionW) 0.78

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 14
 Recall: 0.942
 Precision: 
       all: 0.371  allw: 0.728
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.533
 F-measure:(Recall,PrecisionW) 0.822

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 15
 Recall: 0.942
 Precision: 
       all: 0.379  allw: 0.645
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.541
 F-measure:(Recall,PrecisionW) 0.765

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 16
 Recall: 0.942
 Precision: 
       all: 0.365  allw: 0.69
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.526
 F-measure:(Recall,PrecisionW) 0.796

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 17
 Recall: 0.942
 Precision: 
       all: 0.397  allw: 0.733
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.559
 F-measure:(Recall,PrecisionW) 0.825

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

Model 18
 Recall: 0.962
 Precision: 
       all: 0.373  allw: 0.678
        <3: nan  <3w: nan

 F-measure:(Recall,Precision)  0.537
 F-measure:(Recall,PrecisionW) 0.795

 F-measure:(0,PrecisionIdeal)  nan
 F-measure:(0,PrecisionIdealW) nan

For freely-rotating-chain model:
Model ave Inconsistent score: 0.769(40/52) 
Model ave  Missing interactions: 0.526 (10/19)
              weighted: 0.441 (1.27e+03/2.87e+03)
                    <3: nan (0/0)
                   <3w: nan (0/0)

 Recall: 0.231
 Precision: 
       all: 0.474  allw: 0.559

 F-measure:(RecallFree,PrecisionFree)  0.31
 F-measure:(ReallFree,PrecisionFreeW) 0.327

# Summary for c_ali.peaks
Total simulated peaks: 650 Number of peaks NOT matched in the Peak List: 150
M score = 0.23

Average shift in HX: 0.006 Average ab-shift in HX: 0.0083(Assignment used: 278)
Average shift in X: 0.05 Average ab-shift in X: 0.081(Assignment used: 238)
Average shift in HX2: 0.0081 Average ab-shift in HX2: 0.013(Assignment used: 291)

#For peaklist c_ali.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0569(111/1951) 
Model   1 Inconsistent score: 0.0579(113/1951) 
Model   2 Inconsistent score: 0.0564(110/1951) 
Model   3 Inconsistent score: 0.0574(112/1951) 
Model   4 Inconsistent score: 0.0579(113/1951) 
Model   5 Inconsistent score: 0.0589(115/1951) 
Model   6 Inconsistent score: 0.0574(112/1951) 
Model   7 Inconsistent score: 0.0589(115/1951) 
Model   8 Inconsistent score: 0.0595(116/1951) 
Model   9 Inconsistent score: 0.0589(115/1951) 
Model  10 Inconsistent score: 0.0559(109/1951) 
Model  11 Inconsistent score: 0.0584(114/1951) 
Model  12 Inconsistent score: 0.0589(115/1951) 
Model  13 Inconsistent score: 0.0559(109/1951) 
Model  14 Inconsistent score: 0.0574(112/1951) 
Model  15 Inconsistent score: 0.0605(118/1951) 
Model  16 Inconsistent score: 0.06(117/1951) 
Model  17 Inconsistent score: 0.0584(114/1951) 
Model  18 Inconsistent score: 0.0574(112/1951) 
Model ave  Missing interactions: 0.494 (2.16e+03/4380)
              weighted: 0.18 (2.08e+06/1.16e+07)
                    <3: 0.15 (78/521)
                   <3w: 0.112 (6.88e+05/6.15e+06)
Model   1  Missing interactions: 0.51 (2.33e+03/4574)
              weighted: 0.203 (2.71e+06/1.33e+07)
                    <3: 0.15 (78/521)
                   <3w: 0.111 (6.89e+05/6.19e+06)
Model   2  Missing interactions: 0.511 (2.34e+03/4583)
              weighted: 0.222 (3.01e+06/1.36e+07)
                    <3: 0.149 (78/522)
                   <3w: 0.111 (6.88e+05/6.2e+06)
Model   3  Missing interactions: 0.512 (2.36e+03/4605)
              weighted: 0.201 (2.72e+06/1.35e+07)
                    <3: 0.149 (78/523)
                   <3w: 0.108 (6.68e+05/6.21e+06)
Model   4  Missing interactions: 0.504 (2.28e+03/4517)
              weighted: 0.204 (2.75e+06/1.35e+07)
                    <3: 0.149 (78/522)
                   <3w: 0.116 (7.34e+05/6.32e+06)
Model   5  Missing interactions: 0.513 (2.34e+03/4567)
              weighted: 0.205 (2.72e+06/1.32e+07)
                    <3: 0.148 (78/526)
                   <3w: 0.11 (6.85e+05/6.22e+06)
Model   6  Missing interactions: 0.507 (2.3e+03/4542)
              weighted: 0.201 (2.69e+06/1.34e+07)
                    <3: 0.149 (78/524)
                   <3w: 0.111 (6.89e+05/6.2e+06)
Model   7  Missing interactions: 0.507 (2.33e+03/4589)
              weighted: 0.206 (2.78e+06/1.35e+07)
                    <3: 0.149 (78/522)
                   <3w: 0.108 (6.72e+05/6.22e+06)
Model   8  Missing interactions: 0.51 (2.32e+03/4547)
              weighted: 0.202 (2.68e+06/1.33e+07)
                    <3: 0.148 (78/526)
                   <3w: 0.111 (6.93e+05/6.24e+06)
Model   9  Missing interactions: 0.508 (2.32e+03/4559)
              weighted: 0.201 (2.7e+06/1.35e+07)
                    <3: 0.15 (78/520)
                   <3w: 0.113 (7.03e+05/6.22e+06)
Model  10  Missing interactions: 0.506 (2.33e+03/4604)
              weighted: 0.203 (2.77e+06/1.37e+07)
                    <3: 0.15 (78/521)
                   <3w: 0.109 (6.72e+05/6.15e+06)
Model  11  Missing interactions: 0.506 (2.31e+03/4573)
              weighted: 0.208 (2.8e+06/1.35e+07)
                    <3: 0.149 (78/525)
                   <3w: 0.11 (6.87e+05/6.23e+06)
Model  12  Missing interactions: 0.505 (2.31e+03/4575)
              weighted: 0.209 (2.8e+06/1.34e+07)
                    <3: 0.149 (78/524)
                   <3w: 0.112 (7.03e+05/6.26e+06)
Model  13  Missing interactions: 0.513 (2.39e+03/4654)
              weighted: 0.212 (2.91e+06/1.38e+07)
                    <3: 0.15 (78/521)
                   <3w: 0.111 (6.86e+05/6.16e+06)
Model  14  Missing interactions: 0.508 (2.32e+03/4562)
              weighted: 0.205 (2.75e+06/1.34e+07)
                    <3: 0.149 (78/524)
                   <3w: 0.112 (6.96e+05/6.23e+06)
Model  15  Missing interactions: 0.508 (2.28e+03/4489)
              weighted: 0.206 (2.75e+06/1.33e+07)
                    <3: 0.149 (78/522)
                   <3w: 0.113 (7.06e+05/6.23e+06)
Model  16  Missing interactions: 0.506 (2.31e+03/4575)
              weighted: 0.206 (2.77e+06/1.35e+07)
                    <3: 0.149 (78/523)
                   <3w: 0.11 (6.82e+05/6.21e+06)
Model  17  Missing interactions: 0.502 (2.3e+03/4570)
              weighted: 0.2 (2.63e+06/1.32e+07)
                    <3: 0.148 (78/527)
                   <3w: 0.109 (6.74e+05/6.19e+06)
Model  18  Missing interactions: 0.511 (2.36e+03/4608)
              weighted: 0.206 (2.79e+06/1.36e+07)
                    <3: 0.149 (78/524)
                   <3w: 0.109 (6.71e+05/6.14e+06)

Model ave
 Recall: 0.943
 Precision: 
       all: 0.506  allw: 0.82
        <3: 0.85  <3w: 0.888

 F-measure:(Recall,Precision)  0.659
 F-measure:(Recall,PrecisionW) 0.878

 F-measure:(0,PrecisionIdeal)  0.919
 F-measure:(0,PrecisionIdealW) 0.941

Model 1
 Recall: 0.942
 Precision: 
       all: 0.49  allw: 0.797
        <3: 0.85  <3w: 0.889

 F-measure:(Recall,Precision)  0.645
 F-measure:(Recall,PrecisionW) 0.863

 F-measure:(0,PrecisionIdeal)  0.919
 F-measure:(0,PrecisionIdealW) 0.941

Model 2
 Recall: 0.944
 Precision: 
       all: 0.489  allw: 0.778
        <3: 0.851  <3w: 0.889

 F-measure:(Recall,Precision)  0.644
 F-measure:(Recall,PrecisionW) 0.853

 F-measure:(0,PrecisionIdeal)  0.919
 F-measure:(0,PrecisionIdealW) 0.941

Model 3
 Recall: 0.943
 Precision: 
       all: 0.488  allw: 0.799
        <3: 0.851  <3w: 0.892

 F-measure:(Recall,Precision)  0.643
 F-measure:(Recall,PrecisionW) 0.865

 F-measure:(0,PrecisionIdeal)  0.919
 F-measure:(0,PrecisionIdealW) 0.943

Model 4
 Recall: 0.942
 Precision: 
       all: 0.496  allw: 0.796
        <3: 0.851  <3w: 0.884

 F-measure:(Recall,Precision)  0.65
 F-measure:(Recall,PrecisionW) 0.863

 F-measure:(0,PrecisionIdeal)  0.919
 F-measure:(0,PrecisionIdealW) 0.938

Model 5
 Recall: 0.941
 Precision: 
       all: 0.487  allw: 0.795
        <3: 0.852  <3w: 0.89

 F-measure:(Recall,Precision)  0.642
 F-measure:(Recall,PrecisionW) 0.862

 F-measure:(0,PrecisionIdeal)  0.92
 F-measure:(0,PrecisionIdealW) 0.942

Model 6
 Recall: 0.943
 Precision: 
       all: 0.493  allw: 0.799
        <3: 0.851  <3w: 0.889

 F-measure:(Recall,Precision)  0.648
 F-measure:(Recall,PrecisionW) 0.865

 F-measure:(0,PrecisionIdeal)  0.92
 F-measure:(0,PrecisionIdealW) 0.941

Model 7
 Recall: 0.941
 Precision: 
       all: 0.493  allw: 0.794
        <3: 0.851  <3w: 0.892

 F-measure:(Recall,Precision)  0.647
 F-measure:(Recall,PrecisionW) 0.861

 F-measure:(0,PrecisionIdeal)  0.919
 F-measure:(0,PrecisionIdealW) 0.943

Model 8
 Recall: 0.941
 Precision: 
       all: 0.49  allw: 0.798
        <3: 0.852  <3w: 0.889

 F-measure:(Recall,Precision)  0.645
 F-measure:(Recall,PrecisionW) 0.863

 F-measure:(0,PrecisionIdeal)  0.92
 F-measure:(0,PrecisionIdealW) 0.941

Model 9
 Recall: 0.941
 Precision: 
       all: 0.492  allw: 0.799
        <3: 0.85  <3w: 0.887

 F-measure:(Recall,Precision)  0.646
 F-measure:(Recall,PrecisionW) 0.864

 F-measure:(0,PrecisionIdeal)  0.919
 F-measure:(0,PrecisionIdealW) 0.94

Model 10
 Recall: 0.944
 Precision: 
       all: 0.494  allw: 0.797
        <3: 0.85  <3w: 0.891

 F-measure:(Recall,Precision)  0.649
 F-measure:(Recall,PrecisionW) 0.864

 F-measure:(0,PrecisionIdeal)  0.919
 F-measure:(0,PrecisionIdealW) 0.942

Model 11
 Recall: 0.942
 Precision: 
       all: 0.494  allw: 0.792
        <3: 0.851  <3w: 0.89

 F-measure:(Recall,Precision)  0.648
 F-measure:(Recall,PrecisionW) 0.86

 F-measure:(0,PrecisionIdeal)  0.92
 F-measure:(0,PrecisionIdealW) 0.942

Model 12
 Recall: 0.941
 Precision: 
       all: 0.495  allw: 0.791
        <3: 0.851  <3w: 0.888

 F-measure:(Recall,Precision)  0.649
 F-measure:(Recall,PrecisionW) 0.86

 F-measure:(0,PrecisionIdeal)  0.92
 F-measure:(0,PrecisionIdealW) 0.941

Model 13
 Recall: 0.944
 Precision: 
       all: 0.487  allw: 0.788
        <3: 0.85  <3w: 0.889

 F-measure:(Recall,Precision)  0.642
 F-measure:(Recall,PrecisionW) 0.859

 F-measure:(0,PrecisionIdeal)  0.919
 F-measure:(0,PrecisionIdealW) 0.941

Model 14
 Recall: 0.943
 Precision: 
       all: 0.492  allw: 0.795
        <3: 0.851  <3w: 0.888

 F-measure:(Recall,Precision)  0.647
 F-measure:(Recall,PrecisionW) 0.863

 F-measure:(0,PrecisionIdeal)  0.92
 F-measure:(0,PrecisionIdealW) 0.941

Model 15
 Recall: 0.94
 Precision: 
       all: 0.492  allw: 0.794
        <3: 0.851  <3w: 0.887

 F-measure:(Recall,Precision)  0.646
 F-measure:(Recall,PrecisionW) 0.86

 F-measure:(0,PrecisionIdeal)  0.919
 F-measure:(0,PrecisionIdealW) 0.94

Model 16
 Recall: 0.94
 Precision: 
       all: 0.494  allw: 0.794
        <3: 0.851  <3w: 0.89

 F-measure:(Recall,Precision)  0.648
 F-measure:(Recall,PrecisionW) 0.861

 F-measure:(0,PrecisionIdeal)  0.919
 F-measure:(0,PrecisionIdealW) 0.942

Model 17
 Recall: 0.942
 Precision: 
       all: 0.498  allw: 0.8
        <3: 0.852  <3w: 0.891

 F-measure:(Recall,Precision)  0.651
 F-measure:(Recall,PrecisionW) 0.865

 F-measure:(0,PrecisionIdeal)  0.92
 F-measure:(0,PrecisionIdealW) 0.942

Model 18
 Recall: 0.943
 Precision: 
       all: 0.489  allw: 0.794
        <3: 0.851  <3w: 0.891

 F-measure:(Recall,Precision)  0.644
 F-measure:(Recall,PrecisionW) 0.862

 F-measure:(0,PrecisionIdeal)  0.92
 F-measure:(0,PrecisionIdealW) 0.942

For freely-rotating-chain model:
Model ave Inconsistent score: 0.39(761/1951) 
Model ave  Missing interactions: 0.392 (670/1710)
              weighted: 0.208 (2.7e+05/1.3e+06)
                    <3: 0.151 (78/517)
                   <3w: 0.134 (1.27e+05/9.52e+05)

 Recall: 0.61
 Precision: 
       all: 0.608  allw: 0.792

 F-measure:(RecallFree,PrecisionFree)  0.609
 F-measure:(ReallFree,PrecisionFreeW) 0.689


 Final M-score 0.212 177/833

Model ave

 Final Recall-score for input query structures: 0.955
 Final Precision-score for input query structures: 0.839

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.897

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.894
 F-score of ideal true structures:       0.946
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.77

Model 1

 Final Recall-score for input query structures: 0.955
 Final Precision-score for input query structures: 0.814

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.896

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.879
 F-score of ideal true structures:       0.945
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.707

Model 2

 Final Recall-score for input query structures: 0.958
 Final Precision-score for input query structures: 0.792

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.896

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.867
 F-score of ideal true structures:       0.945
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.653

Model 3

 Final Recall-score for input query structures: 0.956
 Final Precision-score for input query structures: 0.816

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.9

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.881
 F-score of ideal true structures:       0.947
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.709

Model 4

 Final Recall-score for input query structures: 0.955
 Final Precision-score for input query structures: 0.814

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.893

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.879
 F-score of ideal true structures:       0.944
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.71

Model 5

 Final Recall-score for input query structures: 0.954
 Final Precision-score for input query structures: 0.811

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.896

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.877
 F-score of ideal true structures:       0.945
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.698

Model 6

 Final Recall-score for input query structures: 0.956
 Final Precision-score for input query structures: 0.815

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.898

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.88
 F-score of ideal true structures:       0.946
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.708

Model 7

 Final Recall-score for input query structures: 0.955
 Final Precision-score for input query structures: 0.812

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.901

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.878
 F-score of ideal true structures:       0.948
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.693

Model 8

 Final Recall-score for input query structures: 0.954
 Final Precision-score for input query structures: 0.815

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.896

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.879
 F-score of ideal true structures:       0.945
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.707

Model 9

 Final Recall-score for input query structures: 0.956
 Final Precision-score for input query structures: 0.816

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.895

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.88
 F-score of ideal true structures:       0.945
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.711

Model 10

 Final Recall-score for input query structures: 0.957
 Final Precision-score for input query structures: 0.812

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.899

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.879
 F-score of ideal true structures:       0.947
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.7

Model 11

 Final Recall-score for input query structures: 0.954
 Final Precision-score for input query structures: 0.815

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.898

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.879
 F-score of ideal true structures:       0.946
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.704

Model 12

 Final Recall-score for input query structures: 0.955
 Final Precision-score for input query structures: 0.813

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.896

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.878
 F-score of ideal true structures:       0.945
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.702

Model 13

 Final Recall-score for input query structures: 0.958
 Final Precision-score for input query structures: 0.805

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.896

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.875
 F-score of ideal true structures:       0.945
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.689

Model 14

 Final Recall-score for input query structures: 0.955
 Final Precision-score for input query structures: 0.813

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.896

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.878
 F-score of ideal true structures:       0.945
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.702

Model 15

 Final Recall-score for input query structures: 0.954
 Final Precision-score for input query structures: 0.813

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.895

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.878
 F-score of ideal true structures:       0.945
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.702

Model 16

 Final Recall-score for input query structures: 0.954
 Final Precision-score for input query structures: 0.811

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.899

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.877
 F-score of ideal true structures:       0.947
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.692

Model 17

 Final Recall-score for input query structures: 0.956
 Final Precision-score for input query structures: 0.818

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.899

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.882
 F-score of ideal true structures:       0.947
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.714

Model 18

 Final Recall-score for input query structures: 0.956
 Final Precision-score for input query structures: 0.809

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.899

 Final Recall-score for freely-rotating-chain model: 0.643
 Final Precision-score for freely-rotating-chain model: 0.818

 Summary:
 F-score of input query structures:      0.876
 F-score of ideal true structures:       0.947
 F-score of freely-rotating-chain model: 0.72

 DP-Score: 0.687

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

NOESY_Assign:
      User CPU Time:         70 sec.
      Syst CPU Time:        0.8 sec.
Other Processes:
      User CPU Time:       0.64 sec.
      Syst CPU Time:       0.06 sec.

Total Elapsed Time:       71.5 sec. 
