# created by  ASDP Version 1.0 Copyright(C) 2010
# Fri May 10 16:09:04 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/RPR324_R3_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q RPR324_R3_em_bcr3.pdb.iupac 


# Summary for n.peaks
Total simulated peaks: 127 Number of peaks NOT matched in the Peak List: 10
M score = 0.079

Average shift in HX: -0.0012 Average ab-shift in HX: 0.0027(Assignment used: 82)
Average shift in X: -0.0068 Average ab-shift in X: 0.032(Assignment used: 80)
Average shift in HX2: 0.00074 Average ab-shift in HX2: 0.0088(Assignment used: 99)

#For peaklist n.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0485(46/949) 
Model   1 Inconsistent score: 0.0453(43/949) 
Model   2 Inconsistent score: 0.0432(41/949) 
Model   3 Inconsistent score: 0.0432(41/949) 
Model   4 Inconsistent score: 0.04(38/949) 
Model   5 Inconsistent score: 0.0421(40/949) 
Model   6 Inconsistent score: 0.0474(45/949) 
Model   7 Inconsistent score: 0.0464(44/949) 
Model   8 Inconsistent score: 0.0432(41/949) 
Model   9 Inconsistent score: 0.0443(42/949) 
Model  10 Inconsistent score: 0.0453(43/949) 
Model  11 Inconsistent score: 0.0443(42/949) 
Model  12 Inconsistent score: 0.0485(46/949) 
Model  13 Inconsistent score: 0.0453(43/949) 
Model  14 Inconsistent score: 0.0421(40/949) 
Model  15 Inconsistent score: 0.0421(40/949) 
Model  16 Inconsistent score: 0.0421(40/949) 
Model  17 Inconsistent score: 0.0443(42/949) 
Model  18 Inconsistent score: 0.0474(45/949) 
Model  19 Inconsistent score: 0.0411(39/949) 
Model  20 Inconsistent score: 0.0453(43/949) 
Model ave  Missing interactions: 0.386 (573/1485)
              weighted: 0.0753 (2.4e+05/3.19e+06)
                    <3: 0.0638 (9/141)
                   <3w: 0.0542 (3.11e+04/5.73e+05)
Model   1  Missing interactions: 0.396 (607/1531)
              weighted: 0.0805 (2.77e+05/3.44e+06)
                    <3: 0.0563 (8/142)
                   <3w: 0.0508 (2.96e+04/5.84e+05)
Model   2  Missing interactions: 0.392 (603/1540)
              weighted: 0.0796 (2.78e+05/3.49e+06)
                    <3: 0.0571 (8/140)
                   <3w: 0.0495 (2.9e+04/5.84e+05)
Model   3  Missing interactions: 0.393 (601/1530)
              weighted: 0.0825 (2.79e+05/3.38e+06)
                    <3: 0.0559 (8/143)
                   <3w: 0.0477 (2.76e+04/5.79e+05)
Model   4  Missing interactions: 0.397 (617/1556)
              weighted: 0.0863 (2.89e+05/3.35e+06)
                    <3: 0.0559 (8/143)
                   <3w: 0.0655 (3.86e+04/5.9e+05)
Model   5  Missing interactions: 0.401 (624/1555)
              weighted: 0.0803 (2.81e+05/3.5e+06)
                    <3: 0.0634 (9/142)
                   <3w: 0.0496 (2.95e+04/5.95e+05)
Model   6  Missing interactions: 0.398 (616/1548)
              weighted: 0.0822 (2.87e+05/3.49e+06)
                    <3: 0.0567 (8/141)
                   <3w: 0.0456 (2.73e+04/5.98e+05)
Model   7  Missing interactions: 0.396 (613/1548)
              weighted: 0.082 (2.8e+05/3.42e+06)
                    <3: 0.0567 (8/141)
                   <3w: 0.0502 (2.9e+04/5.77e+05)
Model   8  Missing interactions: 0.399 (621/1558)
              weighted: 0.0816 (2.76e+05/3.38e+06)
                    <3: 0.0625 (9/144)
                   <3w: 0.05 (2.97e+04/5.94e+05)
Model   9  Missing interactions: 0.392 (598/1526)
              weighted: 0.0794 (2.78e+05/3.5e+06)
                    <3: 0.0634 (9/142)
                   <3w: 0.0455 (2.65e+04/5.83e+05)
Model  10  Missing interactions: 0.396 (617/1558)
              weighted: 0.0801 (2.83e+05/3.53e+06)
                    <3: 0.0643 (9/140)
                   <3w: 0.0496 (2.91e+04/5.87e+05)
Model  11  Missing interactions: 0.403 (637/1582)
              weighted: 0.0858 (2.99e+05/3.49e+06)
                    <3: 0.0634 (9/142)
                   <3w: 0.0511 (2.99e+04/5.85e+05)
Model  12  Missing interactions: 0.396 (609/1536)
              weighted: 0.0857 (2.93e+05/3.42e+06)
                    <3: 0.0559 (8/143)
                   <3w: 0.0457 (2.62e+04/5.74e+05)
Model  13  Missing interactions: 0.384 (586/1525)
              weighted: 0.0867 (2.96e+05/3.41e+06)
                    <3: 0.0559 (8/143)
                   <3w: 0.0732 (4.34e+04/5.93e+05)
Model  14  Missing interactions: 0.395 (607/1535)
              weighted: 0.0813 (2.85e+05/3.51e+06)
                    <3: 0.0625 (9/144)
                   <3w: 0.0505 (2.94e+04/5.81e+05)
Model  15  Missing interactions: 0.397 (619/1560)
              weighted: 0.0787 (2.71e+05/3.45e+06)
                    <3: 0.0634 (9/142)
                   <3w: 0.0447 (2.64e+04/5.89e+05)
Model  16  Missing interactions: 0.401 (632/1578)
              weighted: 0.0869 (3.01e+05/3.46e+06)
                    <3: 0.0625 (9/144)
                   <3w: 0.0453 (2.66e+04/5.87e+05)
Model  17  Missing interactions: 0.396 (617/1559)
              weighted: 0.0804 (2.82e+05/3.5e+06)
                    <3: 0.0629 (9/143)
                   <3w: 0.0498 (2.9e+04/5.83e+05)
Model  18  Missing interactions: 0.403 (615/1527)
              weighted: 0.0798 (2.82e+05/3.53e+06)
                    <3: 0.0638 (9/141)
                   <3w: 0.0487 (2.88e+04/5.92e+05)
Model  19  Missing interactions: 0.394 (603/1531)
              weighted: 0.0801 (2.8e+05/3.49e+06)
                    <3: 0.0647 (9/139)
                   <3w: 0.0502 (2.9e+04/5.78e+05)
Model  20  Missing interactions: 0.4 (627/1568)
              weighted: 0.0838 (2.91e+05/3.47e+06)
                    <3: 0.0563 (8/142)
                   <3w: 0.0486 (2.9e+04/5.96e+05)

Model ave
 Recall: 0.952
 Precision: 
       all: 0.614  allw: 0.925
        <3: 0.936  <3w: 0.946

 F-measure:(Recall,Precision)  0.746
 F-measure:(Recall,PrecisionW) 0.938

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

Model 1
 Recall: 0.955
 Precision: 
       all: 0.604  allw: 0.92
        <3: 0.944  <3w: 0.949

 F-measure:(Recall,Precision)  0.74
 F-measure:(Recall,PrecisionW) 0.937

 F-measure:(0,PrecisionIdeal)  0.971
 F-measure:(0,PrecisionIdealW) 0.974

Model 2
 Recall: 0.957
 Precision: 
       all: 0.608  allw: 0.92
        <3: 0.943  <3w: 0.95

 F-measure:(Recall,Precision)  0.744
 F-measure:(Recall,PrecisionW) 0.938

 F-measure:(0,PrecisionIdeal)  0.971
 F-measure:(0,PrecisionIdealW) 0.975

Model 3
 Recall: 0.957
 Precision: 
       all: 0.607  allw: 0.917
        <3: 0.944  <3w: 0.952

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

 F-measure:(0,PrecisionIdeal)  0.971
 F-measure:(0,PrecisionIdealW) 0.976

Model 4
 Recall: 0.96
 Precision: 
       all: 0.603  allw: 0.914
        <3: 0.944  <3w: 0.935

 F-measure:(Recall,Precision)  0.741
 F-measure:(Recall,PrecisionW) 0.936

 F-measure:(0,PrecisionIdeal)  0.971
 F-measure:(0,PrecisionIdealW) 0.966

Model 5
 Recall: 0.958
 Precision: 
       all: 0.599  allw: 0.92
        <3: 0.937  <3w: 0.95

 F-measure:(Recall,Precision)  0.737
 F-measure:(Recall,PrecisionW) 0.938

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.975

Model 6
 Recall: 0.953
 Precision: 
       all: 0.602  allw: 0.918
        <3: 0.943  <3w: 0.954

 F-measure:(Recall,Precision)  0.738
 F-measure:(Recall,PrecisionW) 0.935

 F-measure:(0,PrecisionIdeal)  0.971
 F-measure:(0,PrecisionIdealW) 0.977

Model 7
 Recall: 0.954
 Precision: 
       all: 0.604  allw: 0.918
        <3: 0.943  <3w: 0.95

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

 F-measure:(0,PrecisionIdeal)  0.971
 F-measure:(0,PrecisionIdealW) 0.974

Model 8
 Recall: 0.957
 Precision: 
       all: 0.601  allw: 0.918
        <3: 0.938  <3w: 0.95

 F-measure:(Recall,Precision)  0.739
 F-measure:(Recall,PrecisionW) 0.937

 F-measure:(0,PrecisionIdeal)  0.968
 F-measure:(0,PrecisionIdealW) 0.974

Model 9
 Recall: 0.956
 Precision: 
       all: 0.608  allw: 0.921
        <3: 0.937  <3w: 0.954

 F-measure:(Recall,Precision)  0.743
 F-measure:(Recall,PrecisionW) 0.938

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.977

Model 10
 Recall: 0.955
 Precision: 
       all: 0.604  allw: 0.92
        <3: 0.936  <3w: 0.95

 F-measure:(Recall,Precision)  0.74
 F-measure:(Recall,PrecisionW) 0.937

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.975

Model 11
 Recall: 0.956
 Precision: 
       all: 0.597  allw: 0.914
        <3: 0.937  <3w: 0.949

 F-measure:(Recall,Precision)  0.735
 F-measure:(Recall,PrecisionW) 0.935

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

Model 12
 Recall: 0.952
 Precision: 
       all: 0.604  allw: 0.914
        <3: 0.944  <3w: 0.954

 F-measure:(Recall,Precision)  0.739
 F-measure:(Recall,PrecisionW) 0.933

 F-measure:(0,PrecisionIdeal)  0.971
 F-measure:(0,PrecisionIdealW) 0.977

Model 13
 Recall: 0.955
 Precision: 
       all: 0.616  allw: 0.913
        <3: 0.944  <3w: 0.927

 F-measure:(Recall,Precision)  0.749
 F-measure:(Recall,PrecisionW) 0.934

 F-measure:(0,PrecisionIdeal)  0.971
 F-measure:(0,PrecisionIdealW) 0.962

Model 14
 Recall: 0.958
 Precision: 
       all: 0.605  allw: 0.919
        <3: 0.938  <3w: 0.95

 F-measure:(Recall,Precision)  0.741
 F-measure:(Recall,PrecisionW) 0.938

 F-measure:(0,PrecisionIdeal)  0.968
 F-measure:(0,PrecisionIdealW) 0.974

Model 15
 Recall: 0.958
 Precision: 
       all: 0.603  allw: 0.921
        <3: 0.937  <3w: 0.955

 F-measure:(Recall,Precision)  0.74
 F-measure:(Recall,PrecisionW) 0.939

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.977

Model 16
 Recall: 0.958
 Precision: 
       all: 0.599  allw: 0.913
        <3: 0.938  <3w: 0.955

 F-measure:(Recall,Precision)  0.737
 F-measure:(Recall,PrecisionW) 0.935

 F-measure:(0,PrecisionIdeal)  0.968
 F-measure:(0,PrecisionIdealW) 0.977

Model 17
 Recall: 0.956
 Precision: 
       all: 0.604  allw: 0.92
        <3: 0.937  <3w: 0.95

 F-measure:(Recall,Precision)  0.74
 F-measure:(Recall,PrecisionW) 0.937

 F-measure:(0,PrecisionIdeal)  0.968
 F-measure:(0,PrecisionIdealW) 0.974

Model 18
 Recall: 0.953
 Precision: 
       all: 0.597  allw: 0.92
        <3: 0.936  <3w: 0.951

 F-measure:(Recall,Precision)  0.734
 F-measure:(Recall,PrecisionW) 0.936

 F-measure:(0,PrecisionIdeal)  0.967
 F-measure:(0,PrecisionIdealW) 0.975

Model 19
 Recall: 0.959
 Precision: 
       all: 0.606  allw: 0.92
        <3: 0.935  <3w: 0.95

 F-measure:(Recall,Precision)  0.743
 F-measure:(Recall,PrecisionW) 0.939

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

Model 20
 Recall: 0.955
 Precision: 
       all: 0.6  allw: 0.916
        <3: 0.944  <3w: 0.951

 F-measure:(Recall,Precision)  0.737
 F-measure:(Recall,PrecisionW) 0.935

 F-measure:(0,PrecisionIdeal)  0.971
 F-measure:(0,PrecisionIdealW) 0.975

For freely-rotating-chain model:
Model ave Inconsistent score: 0.314(298/949) 
Model ave  Missing interactions: 0.213 (151/709)
              weighted: 0.139 (5.32e+04/3.82e+05)
                    <3: 0.0803 (11/137)
                   <3w: 0.101 (1.98e+04/1.96e+05)

 Recall: 0.686
 Precision: 
       all: 0.787  allw: 0.861

 F-measure:(RecallFree,PrecisionFree)  0.733
 F-measure:(ReallFree,PrecisionFreeW) 0.763

# Summary for c_aro.peaks
Total simulated peaks: 14 Number of peaks NOT matched in the Peak List: 1
M score = 0.071

Average shift in HX: -0.0026 Average ab-shift in HX: 0.0036(Assignment used: 7)
Average shift in X: 0.019 Average ab-shift in X: 0.038(Assignment used: 7)
Average shift in HX2: -0.0055 Average ab-shift in HX2: 0.0082(Assignment used: 11)

#For peaklist c_aro.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0882(42/476) 
Model   1 Inconsistent score: 0.107(51/476) 
Model   2 Inconsistent score: 0.0987(47/476) 
Model   3 Inconsistent score: 0.107(51/476) 
Model   4 Inconsistent score: 0.103(49/476) 
Model   5 Inconsistent score: 0.0987(47/476) 
Model   6 Inconsistent score: 0.12(57/476) 
Model   7 Inconsistent score: 0.0777(37/476) 
Model   8 Inconsistent score: 0.0861(41/476) 
Model   9 Inconsistent score: 0.0987(47/476) 
Model  10 Inconsistent score: 0.0882(42/476) 
Model  11 Inconsistent score: 0.103(49/476) 
Model  12 Inconsistent score: 0.111(53/476) 
Model  13 Inconsistent score: 0.111(53/476) 
Model  14 Inconsistent score: 0.103(49/476) 
Model  15 Inconsistent score: 0.0861(41/476) 
Model  16 Inconsistent score: 0.107(51/476) 
Model  17 Inconsistent score: 0.0945(45/476) 
Model  18 Inconsistent score: 0.103(49/476) 
Model  19 Inconsistent score: 0.105(50/476) 
Model  20 Inconsistent score: 0.0861(41/476) 
Model ave  Missing interactions: 0.418 (169/404)
              weighted: 0.147 (5.96e+04/4.07e+05)
                    <3: 0.3 (3/10)
                   <3w: 0.0206 (291/1.42e+04)
Model   1  Missing interactions: 0.434 (177/408)
              weighted: 0.144 (8.67e+04/6.03e+05)
                    <3: 0.143 (1/7)
                   <3w: 0.0119 (152/1.28e+04)
Model   2  Missing interactions: 0.433 (183/423)
              weighted: 0.134 (8.03e+04/5.99e+05)
                    <3: 0.143 (1/7)
                   <3w: 0.0119 (152/1.27e+04)
Model   3  Missing interactions: 0.434 (180/415)
              weighted: 0.137 (8.28e+04/6.06e+05)
                    <3: 0.143 (1/7)
                   <3w: 0.0119 (152/1.28e+04)
Model   4  Missing interactions: 0.434 (182/419)
              weighted: 0.127 (8.27e+04/6.49e+05)
                    <3: 0.143 (1/7)
                   <3w: 0.0119 (152/1.28e+04)
Model   5  Missing interactions: 0.437 (185/423)
              weighted: 0.136 (7.89e+04/5.81e+05)
                    <3: 0.3 (3/10)
                   <3w: 0.0195 (299/1.54e+04)
Model   6  Missing interactions: 0.445 (191/429)
              weighted: 0.19 (1.11e+05/5.87e+05)
                    <3: 0.143 (1/7)
                   <3w: 0.0119 (152/1.27e+04)
Model   7  Missing interactions: 0.436 (187/429)
              weighted: 0.151 (8.77e+04/5.8e+05)
                    <3: 0.143 (1/7)
                   <3w: 0.0118 (152/1.29e+04)
Model   8  Missing interactions: 0.454 (194/427)
              weighted: 0.141 (8.3e+04/5.88e+05)
                    <3: 0.3 (3/10)
                   <3w: 0.0193 (301/1.56e+04)
Model   9  Missing interactions: 0.442 (185/419)
              weighted: 0.139 (8.03e+04/5.77e+05)
                    <3: 0.333 (4/12)
                   <3w: 0.023 (365/1.59e+04)
Model  10  Missing interactions: 0.441 (195/442)
              weighted: 0.155 (9.88e+04/6.36e+05)
                    <3: 0.3 (3/10)
                   <3w: 0.0192 (300/1.56e+04)
Model  11  Missing interactions: 0.445 (189/425)
              weighted: 0.164 (9.49e+04/5.79e+05)
                    <3: 0.3 (3/10)
                   <3w: 0.0194 (301/1.55e+04)
Model  12  Missing interactions: 0.431 (177/411)
              weighted: 0.145 (8.81e+04/6.06e+05)
                    <3: 0.143 (1/7)
                   <3w: 0.0119 (152/1.28e+04)
Model  13  Missing interactions: 0.433 (177/409)
              weighted: 0.144 (9.09e+04/6.32e+05)
                    <3: 0.143 (1/7)
                   <3w: 0.0119 (152/1.28e+04)
Model  14  Missing interactions: 0.448 (192/429)
              weighted: 0.184 (1.09e+05/5.89e+05)
                    <3: 0.3 (3/10)
                   <3w: 0.0194 (299/1.54e+04)
Model  15  Missing interactions: 0.437 (191/437)
              weighted: 0.16 (9.81e+04/6.13e+05)
                    <3: 0.3 (3/10)
                   <3w: 0.0195 (300/1.54e+04)
Model  16  Missing interactions: 0.449 (193/430)
              weighted: 0.154 (9.88e+04/6.41e+05)
                    <3: 0.3 (3/10)
                   <3w: 0.0192 (302/1.57e+04)
Model  17  Missing interactions: 0.444 (189/426)
              weighted: 0.159 (9.57e+04/6.03e+05)
                    <3: 0.3 (3/10)
                   <3w: 0.019 (300/1.58e+04)
Model  18  Missing interactions: 0.459 (208/453)
              weighted: 0.189 (1.27e+05/6.69e+05)
                    <3: 0.333 (3/9)
                   <3w: 0.0196 (299/1.52e+04)
Model  19  Missing interactions: 0.449 (197/439)
              weighted: 0.155 (9.86e+04/6.35e+05)
                    <3: 0.3 (3/10)
                   <3w: 0.0191 (299/1.56e+04)
Model  20  Missing interactions: 0.436 (188/431)
              weighted: 0.154 (9.33e+04/6.07e+05)
                    <3: 0.143 (1/7)
                   <3w: 0.0118 (152/1.29e+04)

Model ave
 Recall: 0.912
 Precision: 
       all: 0.582  allw: 0.853
        <3: 0.7  <3w: 0.979

 F-measure:(Recall,Precision)  0.71
 F-measure:(Recall,PrecisionW) 0.882

 F-measure:(0,PrecisionIdeal)  0.824
 F-measure:(0,PrecisionIdealW) 0.99

Model 1
 Recall: 0.893
 Precision: 
       all: 0.566  allw: 0.856
        <3: 0.857  <3w: 0.988

 F-measure:(Recall,Precision)  0.693
 F-measure:(Recall,PrecisionW) 0.874

 F-measure:(0,PrecisionIdeal)  0.923
 F-measure:(0,PrecisionIdealW) 0.994

Model 2
 Recall: 0.901
 Precision: 
       all: 0.567  allw: 0.866
        <3: 0.857  <3w: 0.988

 F-measure:(Recall,Precision)  0.696
 F-measure:(Recall,PrecisionW) 0.883

 F-measure:(0,PrecisionIdeal)  0.923
 F-measure:(0,PrecisionIdealW) 0.994

Model 3
 Recall: 0.893
 Precision: 
       all: 0.566  allw: 0.863
        <3: 0.857  <3w: 0.988

 F-measure:(Recall,Precision)  0.693
 F-measure:(Recall,PrecisionW) 0.878

 F-measure:(0,PrecisionIdeal)  0.923
 F-measure:(0,PrecisionIdealW) 0.994

Model 4
 Recall: 0.897
 Precision: 
       all: 0.566  allw: 0.873
        <3: 0.857  <3w: 0.988

 F-measure:(Recall,Precision)  0.694
 F-measure:(Recall,PrecisionW) 0.885

 F-measure:(0,PrecisionIdeal)  0.923
 F-measure:(0,PrecisionIdealW) 0.994

Model 5
 Recall: 0.901
 Precision: 
       all: 0.563  allw: 0.864
        <3: 0.7  <3w: 0.981

 F-measure:(Recall,Precision)  0.693
 F-measure:(Recall,PrecisionW) 0.882

 F-measure:(0,PrecisionIdeal)  0.824
 F-measure:(0,PrecisionIdealW) 0.99

Model 6
 Recall: 0.88
 Precision: 
       all: 0.555  allw: 0.81
        <3: 0.857  <3w: 0.988

 F-measure:(Recall,Precision)  0.681
 F-measure:(Recall,PrecisionW) 0.844

 F-measure:(0,PrecisionIdeal)  0.923
 F-measure:(0,PrecisionIdealW) 0.994

Model 7
 Recall: 0.922
 Precision: 
       all: 0.564  allw: 0.849
        <3: 0.857  <3w: 0.988

 F-measure:(Recall,Precision)  0.7
 F-measure:(Recall,PrecisionW) 0.884

 F-measure:(0,PrecisionIdeal)  0.923
 F-measure:(0,PrecisionIdealW) 0.994

Model 8
 Recall: 0.914
 Precision: 
       all: 0.546  allw: 0.859
        <3: 0.7  <3w: 0.981

 F-measure:(Recall,Precision)  0.683
 F-measure:(Recall,PrecisionW) 0.885

 F-measure:(0,PrecisionIdeal)  0.824
 F-measure:(0,PrecisionIdealW) 0.99

Model 9
 Recall: 0.901
 Precision: 
       all: 0.558  allw: 0.861
        <3: 0.667  <3w: 0.977

 F-measure:(Recall,Precision)  0.69
 F-measure:(Recall,PrecisionW) 0.881

 F-measure:(0,PrecisionIdeal)  0.8
 F-measure:(0,PrecisionIdealW) 0.988

Model 10
 Recall: 0.912
 Precision: 
       all: 0.559  allw: 0.845
        <3: 0.7  <3w: 0.981

 F-measure:(Recall,Precision)  0.693
 F-measure:(Recall,PrecisionW) 0.877

 F-measure:(0,PrecisionIdeal)  0.824
 F-measure:(0,PrecisionIdealW) 0.99

Model 11
 Recall: 0.897
 Precision: 
       all: 0.555  allw: 0.836
        <3: 0.7  <3w: 0.981

 F-measure:(Recall,Precision)  0.686
 F-measure:(Recall,PrecisionW) 0.865

 F-measure:(0,PrecisionIdeal)  0.824
 F-measure:(0,PrecisionIdealW) 0.99

Model 12
 Recall: 0.889
 Precision: 
       all: 0.569  allw: 0.855
        <3: 0.857  <3w: 0.988

 F-measure:(Recall,Precision)  0.694
 F-measure:(Recall,PrecisionW) 0.871

 F-measure:(0,PrecisionIdeal)  0.923
 F-measure:(0,PrecisionIdealW) 0.994

Model 13
 Recall: 0.889
 Precision: 
       all: 0.567  allw: 0.856
        <3: 0.857  <3w: 0.988

 F-measure:(Recall,Precision)  0.692
 F-measure:(Recall,PrecisionW) 0.872

 F-measure:(0,PrecisionIdeal)  0.923
 F-measure:(0,PrecisionIdealW) 0.994

Model 14
 Recall: 0.897
 Precision: 
       all: 0.552  allw: 0.816
        <3: 0.7  <3w: 0.981

 F-measure:(Recall,Precision)  0.684
 F-measure:(Recall,PrecisionW) 0.854

 F-measure:(0,PrecisionIdeal)  0.824
 F-measure:(0,PrecisionIdealW) 0.99

Model 15
 Recall: 0.914
 Precision: 
       all: 0.563  allw: 0.84
        <3: 0.7  <3w: 0.981

 F-measure:(Recall,Precision)  0.697
 F-measure:(Recall,PrecisionW) 0.875

 F-measure:(0,PrecisionIdeal)  0.824
 F-measure:(0,PrecisionIdealW) 0.99

Model 16
 Recall: 0.893
 Precision: 
       all: 0.551  allw: 0.846
        <3: 0.7  <3w: 0.981

 F-measure:(Recall,Precision)  0.682
 F-measure:(Recall,PrecisionW) 0.869

 F-measure:(0,PrecisionIdeal)  0.824
 F-measure:(0,PrecisionIdealW) 0.99

Model 17
 Recall: 0.905
 Precision: 
       all: 0.556  allw: 0.841
        <3: 0.7  <3w: 0.981

 F-measure:(Recall,Precision)  0.689
 F-measure:(Recall,PrecisionW) 0.872

 F-measure:(0,PrecisionIdeal)  0.824
 F-measure:(0,PrecisionIdealW) 0.99

Model 18
 Recall: 0.897
 Precision: 
       all: 0.541  allw: 0.811
        <3: 0.667  <3w: 0.98

 F-measure:(Recall,Precision)  0.675
 F-measure:(Recall,PrecisionW) 0.852

 F-measure:(0,PrecisionIdeal)  0.8
 F-measure:(0,PrecisionIdealW) 0.99

Model 19
 Recall: 0.895
 Precision: 
       all: 0.551  allw: 0.845
        <3: 0.7  <3w: 0.981

 F-measure:(Recall,Precision)  0.682
 F-measure:(Recall,PrecisionW) 0.869

 F-measure:(0,PrecisionIdeal)  0.824
 F-measure:(0,PrecisionIdealW) 0.99

Model 20
 Recall: 0.914
 Precision: 
       all: 0.564  allw: 0.846
        <3: 0.857  <3w: 0.988

 F-measure:(Recall,Precision)  0.697
 F-measure:(Recall,PrecisionW) 0.879

 F-measure:(0,PrecisionIdeal)  0.923
 F-measure:(0,PrecisionIdealW) 0.994

For freely-rotating-chain model:
Model ave Inconsistent score: 0.731(348/476) 
Model ave  Missing interactions: 0.433 (26/60)
              weighted: 0.49 (1.37e+04/2.79e+04)
                    <3: 0.462 (6/13)
                   <3w: 0.551 (1.18e+04/2.13e+04)

 Recall: 0.269
 Precision: 
       all: 0.567  allw: 0.51

 F-measure:(RecallFree,PrecisionFree)  0.365
 F-measure:(ReallFree,PrecisionFreeW) 0.352

# Summary for c_ali.peaks
Total simulated peaks: 719 Number of peaks NOT matched in the Peak List: 75
M score = 0.1

Average shift in HX: -0.0014 Average ab-shift in HX: 0.004(Assignment used: 319)
Average shift in X: 0.0099 Average ab-shift in X: 0.049(Assignment used: 259)
Average shift in HX2: -0.0009 Average ab-shift in HX2: 0.0065(Assignment used: 364)

#For peaklist c_ali.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0469(125/2665) 
Model   1 Inconsistent score: 0.0462(123/2665) 
Model   2 Inconsistent score: 0.0443(118/2665) 
Model   3 Inconsistent score: 0.0477(127/2665) 
Model   4 Inconsistent score: 0.0484(129/2665) 
Model   5 Inconsistent score: 0.0435(116/2665) 
Model   6 Inconsistent score: 0.0443(118/2665) 
Model   7 Inconsistent score: 0.0413(110/2665) 
Model   8 Inconsistent score: 0.0495(132/2665) 
Model   9 Inconsistent score: 0.042(112/2665) 
Model  10 Inconsistent score: 0.0428(114/2665) 
Model  11 Inconsistent score: 0.0405(108/2665) 
Model  12 Inconsistent score: 0.0465(124/2665) 
Model  13 Inconsistent score: 0.0435(116/2665) 
Model  14 Inconsistent score: 0.0447(119/2665) 
Model  15 Inconsistent score: 0.0402(107/2665) 
Model  16 Inconsistent score: 0.0462(123/2665) 
Model  17 Inconsistent score: 0.0413(110/2665) 
Model  18 Inconsistent score: 0.0432(115/2665) 
Model  19 Inconsistent score: 0.0435(116/2665) 
Model  20 Inconsistent score: 0.0439(117/2665) 
Model ave  Missing interactions: 0.407 (1.83e+03/4496)
              weighted: 0.103 (1.22e+06/1.19e+07)
                    <3: 0.0759 (44/580)
                   <3w: 0.04 (2.46e+05/6.15e+06)
Model   1  Missing interactions: 0.42 (1.96e+03/4668)
              weighted: 0.122 (1.64e+06/1.35e+07)
                    <3: 0.0756 (44/582)
                   <3w: 0.0397 (2.47e+05/6.23e+06)
Model   2  Missing interactions: 0.419 (1.96e+03/4684)
              weighted: 0.119 (1.62e+06/1.36e+07)
                    <3: 0.0759 (44/580)
                   <3w: 0.0397 (2.46e+05/6.19e+06)
Model   3  Missing interactions: 0.422 (1.97e+03/4669)
              weighted: 0.117 (1.57e+06/1.35e+07)
                    <3: 0.0755 (44/583)
                   <3w: 0.038 (2.36e+05/6.21e+06)
Model   4  Missing interactions: 0.42 (1.96e+03/4656)
              weighted: 0.117 (1.58e+06/1.36e+07)
                    <3: 0.0755 (44/583)
                   <3w: 0.039 (2.43e+05/6.22e+06)
Model   5  Missing interactions: 0.417 (1.96e+03/4689)
              weighted: 0.114 (1.53e+06/1.34e+07)
                    <3: 0.0757 (44/581)
                   <3w: 0.0392 (2.43e+05/6.21e+06)
Model   6  Missing interactions: 0.421 (1.99e+03/4732)
              weighted: 0.122 (1.69e+06/1.38e+07)
                    <3: 0.0757 (44/581)
                   <3w: 0.0394 (2.48e+05/6.29e+06)
Model   7  Missing interactions: 0.416 (1.95e+03/4691)
              weighted: 0.118 (1.59e+06/1.35e+07)
                    <3: 0.0757 (44/581)
                   <3w: 0.0386 (2.4e+05/6.21e+06)
Model   8  Missing interactions: 0.422 (1.96e+03/4652)
              weighted: 0.115 (1.54e+06/1.34e+07)
                    <3: 0.0755 (44/583)
                   <3w: 0.0377 (2.36e+05/6.27e+06)
Model   9  Missing interactions: 0.413 (1.92e+03/4655)
              weighted: 0.116 (1.54e+06/1.34e+07)
                    <3: 0.0757 (44/581)
                   <3w: 0.0397 (2.44e+05/6.16e+06)
Model  10  Missing interactions: 0.423 (2.01e+03/4749)
              weighted: 0.12 (1.64e+06/1.36e+07)
                    <3: 0.076 (44/579)
                   <3w: 0.04 (2.46e+05/6.13e+06)
Model  11  Missing interactions: 0.421 (1.99e+03/4739)
              weighted: 0.12 (1.63e+06/1.36e+07)
                    <3: 0.0757 (44/581)
                   <3w: 0.0396 (2.45e+05/6.19e+06)
Model  12  Missing interactions: 0.418 (1.94e+03/4636)
              weighted: 0.118 (1.57e+06/1.33e+07)
                    <3: 0.0755 (44/583)
                   <3w: 0.038 (2.35e+05/6.18e+06)
Model  13  Missing interactions: 0.421 (1.96e+03/4651)
              weighted: 0.116 (1.58e+06/1.35e+07)
                    <3: 0.0755 (44/583)
                   <3w: 0.0387 (2.4e+05/6.21e+06)
Model  14  Missing interactions: 0.422 (1.97e+03/4677)
              weighted: 0.117 (1.58e+06/1.34e+07)
                    <3: 0.0755 (44/583)
                   <3w: 0.0396 (2.45e+05/6.17e+06)
Model  15  Missing interactions: 0.423 (2.01e+03/4761)
              weighted: 0.119 (1.64e+06/1.37e+07)
                    <3: 0.0757 (44/581)
                   <3w: 0.0382 (2.38e+05/6.24e+06)
Model  16  Missing interactions: 0.426 (2.03e+03/4754)
              weighted: 0.124 (1.71e+06/1.38e+07)
                    <3: 0.0755 (44/583)
                   <3w: 0.0387 (2.41e+05/6.24e+06)
Model  17  Missing interactions: 0.418 (1.97e+03/4714)
              weighted: 0.117 (1.6e+06/1.37e+07)
                    <3: 0.0756 (44/582)
                   <3w: 0.0392 (2.43e+05/6.21e+06)
Model  18  Missing interactions: 0.42 (1.96e+03/4674)
              weighted: 0.132 (1.79e+06/1.36e+07)
                    <3: 0.0757 (44/581)
                   <3w: 0.041 (2.56e+05/6.24e+06)
Model  19  Missing interactions: 0.42 (1.98e+03/4713)
              weighted: 0.123 (1.68e+06/1.37e+07)
                    <3: 0.0761 (44/578)
                   <3w: 0.0395 (2.44e+05/6.19e+06)
Model  20  Missing interactions: 0.423 (2.01e+03/4747)
              weighted: 0.122 (1.65e+06/1.36e+07)
                    <3: 0.0756 (44/582)
                   <3w: 0.0386 (2.4e+05/6.22e+06)

Model ave
 Recall: 0.953
 Precision: 
       all: 0.593  allw: 0.897
        <3: 0.924  <3w: 0.96

 F-measure:(Recall,Precision)  0.731
 F-measure:(Recall,PrecisionW) 0.924

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.98

Model 1
 Recall: 0.954
 Precision: 
       all: 0.58  allw: 0.878
        <3: 0.924  <3w: 0.96

 F-measure:(Recall,Precision)  0.722
 F-measure:(Recall,PrecisionW) 0.915

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.98

Model 2
 Recall: 0.956
 Precision: 
       all: 0.581  allw: 0.881
        <3: 0.924  <3w: 0.96

 F-measure:(Recall,Precision)  0.722
 F-measure:(Recall,PrecisionW) 0.917

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.98

Model 3
 Recall: 0.952
 Precision: 
       all: 0.578  allw: 0.883
        <3: 0.925  <3w: 0.962

 F-measure:(Recall,Precision)  0.719
 F-measure:(Recall,PrecisionW) 0.917

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.981

Model 4
 Recall: 0.952
 Precision: 
       all: 0.58  allw: 0.883
        <3: 0.925  <3w: 0.961

 F-measure:(Recall,Precision)  0.721
 F-measure:(Recall,PrecisionW) 0.916

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.98

Model 5
 Recall: 0.956
 Precision: 
       all: 0.583  allw: 0.886
        <3: 0.924  <3w: 0.961

 F-measure:(Recall,Precision)  0.724
 F-measure:(Recall,PrecisionW) 0.92

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.98

Model 6
 Recall: 0.956
 Precision: 
       all: 0.579  allw: 0.878
        <3: 0.924  <3w: 0.961

 F-measure:(Recall,Precision)  0.721
 F-measure:(Recall,PrecisionW) 0.915

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.98

Model 7
 Recall: 0.959
 Precision: 
       all: 0.584  allw: 0.882
        <3: 0.924  <3w: 0.961

 F-measure:(Recall,Precision)  0.726
 F-measure:(Recall,PrecisionW) 0.919

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.98

Model 8
 Recall: 0.95
 Precision: 
       all: 0.578  allw: 0.885
        <3: 0.925  <3w: 0.962

 F-measure:(Recall,Precision)  0.719
 F-measure:(Recall,PrecisionW) 0.916

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.981

Model 9
 Recall: 0.958
 Precision: 
       all: 0.587  allw: 0.884
        <3: 0.924  <3w: 0.96

 F-measure:(Recall,Precision)  0.728
 F-measure:(Recall,PrecisionW) 0.92

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.98

Model 10
 Recall: 0.957
 Precision: 
       all: 0.577  allw: 0.88
        <3: 0.924  <3w: 0.96

 F-measure:(Recall,Precision)  0.72
 F-measure:(Recall,PrecisionW) 0.917

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.98

Model 11
 Recall: 0.959
 Precision: 
       all: 0.579  allw: 0.88
        <3: 0.924  <3w: 0.96

 F-measure:(Recall,Precision)  0.722
 F-measure:(Recall,PrecisionW) 0.918

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.98

Model 12
 Recall: 0.953
 Precision: 
       all: 0.582  allw: 0.882
        <3: 0.925  <3w: 0.962

 F-measure:(Recall,Precision)  0.723
 F-measure:(Recall,PrecisionW) 0.916

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.981

Model 13
 Recall: 0.956
 Precision: 
       all: 0.579  allw: 0.884
        <3: 0.925  <3w: 0.961

 F-measure:(Recall,Precision)  0.722
 F-measure:(Recall,PrecisionW) 0.919

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.98

Model 14
 Recall: 0.955
 Precision: 
       all: 0.578  allw: 0.883
        <3: 0.925  <3w: 0.96

 F-measure:(Recall,Precision)  0.72
 F-measure:(Recall,PrecisionW) 0.917

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.98

Model 15
 Recall: 0.96
 Precision: 
       all: 0.577  allw: 0.881
        <3: 0.924  <3w: 0.962

 F-measure:(Recall,Precision)  0.721
 F-measure:(Recall,PrecisionW) 0.919

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.981

Model 16
 Recall: 0.954
 Precision: 
       all: 0.574  allw: 0.876
        <3: 0.925  <3w: 0.961

 F-measure:(Recall,Precision)  0.717
 F-measure:(Recall,PrecisionW) 0.913

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.98

Model 17
 Recall: 0.959
 Precision: 
       all: 0.582  allw: 0.883
        <3: 0.924  <3w: 0.961

 F-measure:(Recall,Precision)  0.724
 F-measure:(Recall,PrecisionW) 0.92

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.98

Model 18
 Recall: 0.957
 Precision: 
       all: 0.58  allw: 0.868
        <3: 0.924  <3w: 0.959

 F-measure:(Recall,Precision)  0.722
 F-measure:(Recall,PrecisionW) 0.911

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.979

Model 19
 Recall: 0.956
 Precision: 
       all: 0.58  allw: 0.877
        <3: 0.924  <3w: 0.961

 F-measure:(Recall,Precision)  0.722
 F-measure:(Recall,PrecisionW) 0.915

 F-measure:(0,PrecisionIdeal)  0.96
 F-measure:(0,PrecisionIdealW) 0.98

Model 20
 Recall: 0.956
 Precision: 
       all: 0.577  allw: 0.878
        <3: 0.924  <3w: 0.961

 F-measure:(Recall,Precision)  0.72
 F-measure:(Recall,PrecisionW) 0.916

 F-measure:(0,PrecisionIdeal)  0.961
 F-measure:(0,PrecisionIdealW) 0.98

For freely-rotating-chain model:
Model ave Inconsistent score: 0.399(1063/2665) 
Model ave  Missing interactions: 0.32 (557/1738)
              weighted: 0.125 (1.76e+05/1.41e+06)
                    <3: 0.0765 (44/575)
                   <3w: 0.0616 (6.27e+04/1.02e+06)

 Recall: 0.601
 Precision: 
       all: 0.68  allw: 0.875

 F-measure:(RecallFree,PrecisionFree)  0.638
 F-measure:(ReallFree,PrecisionFreeW) 0.713


 Final M-score 0.1 86/860

Model ave

 Final Recall-score for input query structures: 0.948
 Final Precision-score for input query structures: 0.902

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.959

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.924
 F-score of ideal true structures:       0.979
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.806

Model 1

 Final Recall-score for input query structures: 0.947
 Final Precision-score for input query structures: 0.886

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.959

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.915
 F-score of ideal true structures:       0.979
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.774

Model 2

 Final Recall-score for input query structures: 0.95
 Final Precision-score for input query structures: 0.888

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.959

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.918
 F-score of ideal true structures:       0.979
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.784

Model 3

 Final Recall-score for input query structures: 0.946
 Final Precision-score for input query structures: 0.889

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.961

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.917
 F-score of ideal true structures:       0.98
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.778

Model 4

 Final Recall-score for input query structures: 0.947
 Final Precision-score for input query structures: 0.889

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.959

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.917
 F-score of ideal true structures:       0.979
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.781

Model 5

 Final Recall-score for input query structures: 0.95
 Final Precision-score for input query structures: 0.892

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.96

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.92
 F-score of ideal true structures:       0.98
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.789

Model 6

 Final Recall-score for input query structures: 0.946
 Final Precision-score for input query structures: 0.883

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.96

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.914
 F-score of ideal true structures:       0.98
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.768

Model 7

 Final Recall-score for input query structures: 0.953
 Final Precision-score for input query structures: 0.888

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.96

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.92
 F-score of ideal true structures:       0.98
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.789

Model 8

 Final Recall-score for input query structures: 0.948
 Final Precision-score for input query structures: 0.89

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.961

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.918
 F-score of ideal true structures:       0.98
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.782

Model 9

 Final Recall-score for input query structures: 0.951
 Final Precision-score for input query structures: 0.891

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.96

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.92
 F-score of ideal true structures:       0.98
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.789

Model 10

 Final Recall-score for input query structures: 0.951
 Final Precision-score for input query structures: 0.887

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.959

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.918
 F-score of ideal true structures:       0.979
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.784

Model 11

 Final Recall-score for input query structures: 0.951
 Final Precision-score for input query structures: 0.885

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.959

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.917
 F-score of ideal true structures:       0.979
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.781

Model 12

 Final Recall-score for input query structures: 0.945
 Final Precision-score for input query structures: 0.887

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.961

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.916
 F-score of ideal true structures:       0.98
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.775

Model 13

 Final Recall-score for input query structures: 0.948
 Final Precision-score for input query structures: 0.888

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.958

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.917
 F-score of ideal true structures:       0.979
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.781

Model 14

 Final Recall-score for input query structures: 0.949
 Final Precision-score for input query structures: 0.888

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.959

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.917
 F-score of ideal true structures:       0.979
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.781

Model 15

 Final Recall-score for input query structures: 0.954
 Final Precision-score for input query structures: 0.887

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.961

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.919
 F-score of ideal true structures:       0.98
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.785

Model 16

 Final Recall-score for input query structures: 0.948
 Final Precision-score for input query structures: 0.882

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.961

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.914
 F-score of ideal true structures:       0.98
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.768

Model 17

 Final Recall-score for input query structures: 0.952
 Final Precision-score for input query structures: 0.889

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.96

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.919
 F-score of ideal true structures:       0.98
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.785

Model 18

 Final Recall-score for input query structures: 0.949
 Final Precision-score for input query structures: 0.877

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.958

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.911
 F-score of ideal true structures:       0.979
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.76

Model 19

 Final Recall-score for input query structures: 0.95
 Final Precision-score for input query structures: 0.884

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.96

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.916
 F-score of ideal true structures:       0.979
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.777

Model 20

 Final Recall-score for input query structures: 0.951
 Final Precision-score for input query structures: 0.885

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.961

 Final Recall-score for freely-rotating-chain model: 0.582
 Final Precision-score for freely-rotating-chain model: 0.866

 Summary:
 F-score of input query structures:      0.917
 F-score of ideal true structures:       0.98
 F-score of freely-rotating-chain model: 0.696

 DP-Score: 0.778

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

NOESY_Assign:
      User CPU Time:       47.5 sec.
      Syst CPU Time:       0.78 sec.
Other Processes:
      User CPU Time:       0.63 sec.
      Syst CPU Time:       0.05 sec.

Total Elapsed Time:         49 sec. 
