# created by  ASDP Version 1.0 Copyright(C) 2010
# Fri May 10 09:33:44 2013


# Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign 
#		-c /data/PSVS/PSVS-v1.4-dev/results/HR4694F_R3_em_bcr3/rpf_calc/input/ctrl_file 
#		-o rpf_calc 
#		-q HR4694F_R3_em_bcr3.pdb.iupac 


# Summary for n.peaks
Total simulated peaks: 137 Number of peaks NOT matched in the Peak List: 0
M score = 0

Average shift in HX: -0.00038 Average ab-shift in HX: 0.00051(Assignment used: 91)
Average shift in X: 0.0057 Average ab-shift in X: 0.017(Assignment used: 86)
Average shift in HX2: -0.00049 Average ab-shift in HX2: 0.0018(Assignment used: 129)

#For peaklist n.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0489(55/1125) 
Model   1 Inconsistent score: 0.0489(55/1125) 
Model   2 Inconsistent score: 0.0444(50/1125) 
Model   3 Inconsistent score: 0.0453(51/1125) 
Model   4 Inconsistent score: 0.0444(50/1125) 
Model   5 Inconsistent score: 0.04(45/1125) 
Model   6 Inconsistent score: 0.0436(49/1125) 
Model   7 Inconsistent score: 0.0418(47/1125) 
Model   8 Inconsistent score: 0.0418(47/1125) 
Model   9 Inconsistent score: 0.04(45/1125) 
Model  10 Inconsistent score: 0.048(54/1125) 
Model  11 Inconsistent score: 0.0444(50/1125) 
Model  12 Inconsistent score: 0.0453(51/1125) 
Model  13 Inconsistent score: 0.0436(49/1125) 
Model  14 Inconsistent score: 0.0453(51/1125) 
Model  15 Inconsistent score: 0.0498(56/1125) 
Model  16 Inconsistent score: 0.0471(53/1125) 
Model  17 Inconsistent score: 0.0436(49/1125) 
Model  18 Inconsistent score: 0.048(54/1125) 
Model  19 Inconsistent score: 0.0453(51/1125) 
Model  20 Inconsistent score: 0.0453(51/1125) 
Model ave  Missing interactions: 0.212 (252/1190)
              weighted: 0.0214 (6.15e+04/2.87e+06)
                    <3: 0.00741 (1/135)
                   <3w: 8.63e-05 (64.4/7.46e+05)
Model   1  Missing interactions: 0.246 (308/1250)
              weighted: 0.0327 (1.03e+05/3.13e+06)
                    <3: 0 (0/136)
                   <3w: 0 (0/7.58e+05)
Model   2  Missing interactions: 0.246 (309/1258)
              weighted: 0.0355 (1.15e+05/3.23e+06)
                    <3: 0 (0/134)
                   <3w: 0 (0/7.65e+05)
Model   3  Missing interactions: 0.248 (320/1291)
              weighted: 0.044 (1.43e+05/3.26e+06)
                    <3: 0 (0/138)
                   <3w: 0 (0/7.64e+05)
Model   4  Missing interactions: 0.258 (335/1300)
              weighted: 0.0373 (1.21e+05/3.24e+06)
                    <3: 0 (0/137)
                   <3w: 0 (0/7.41e+05)
Model   5  Missing interactions: 0.242 (313/1292)
              weighted: 0.0302 (9.83e+04/3.26e+06)
                    <3: 0 (0/138)
                   <3w: 0 (0/7.66e+05)
Model   6  Missing interactions: 0.249 (317/1271)
              weighted: 0.0354 (1.13e+05/3.2e+06)
                    <3: 0 (0/136)
                   <3w: 0 (0/7.54e+05)
Model   7  Missing interactions: 0.244 (309/1268)
              weighted: 0.0395 (1.28e+05/3.24e+06)
                    <3: 0 (0/135)
                   <3w: 0 (0/7.73e+05)
Model   8  Missing interactions: 0.236 (300/1270)
              weighted: 0.0325 (1.04e+05/3.2e+06)
                    <3: 0 (0/137)
                   <3w: 0 (0/7.51e+05)
Model   9  Missing interactions: 0.241 (306/1268)
              weighted: 0.0357 (1.14e+05/3.21e+06)
                    <3: 0 (0/133)
                   <3w: 0 (0/7.74e+05)
Model  10  Missing interactions: 0.243 (308/1269)
              weighted: 0.0342 (1.1e+05/3.21e+06)
                    <3: 0 (0/137)
                   <3w: 0 (0/7.57e+05)
Model  11  Missing interactions: 0.245 (311/1267)
              weighted: 0.0379 (1.21e+05/3.2e+06)
                    <3: 0 (0/134)
                   <3w: 0 (0/7.72e+05)
Model  12  Missing interactions: 0.256 (330/1289)
              weighted: 0.0398 (1.26e+05/3.16e+06)
                    <3: 0.00746 (1/134)
                   <3w: 8.66e-05 (64.8/7.48e+05)
Model  13  Missing interactions: 0.245 (307/1253)
              weighted: 0.0416 (1.34e+05/3.22e+06)
                    <3: 0 (0/134)
                   <3w: 0 (0/7.82e+05)
Model  14  Missing interactions: 0.248 (314/1265)
              weighted: 0.0459 (1.49e+05/3.25e+06)
                    <3: 0 (0/134)
                   <3w: 0 (0/7.6e+05)
Model  15  Missing interactions: 0.252 (319/1264)
              weighted: 0.0389 (1.24e+05/3.19e+06)
                    <3: 0 (0/135)
                   <3w: 0 (0/7.71e+05)
Model  16  Missing interactions: 0.255 (324/1270)
              weighted: 0.0404 (1.29e+05/3.2e+06)
                    <3: 0 (0/134)
                   <3w: 0 (0/7.68e+05)
Model  17  Missing interactions: 0.244 (311/1275)
              weighted: 0.0298 (9.68e+04/3.25e+06)
                    <3: 0.0073 (1/137)
                   <3w: 8.65e-05 (64.8/7.49e+05)
Model  18  Missing interactions: 0.248 (312/1257)
              weighted: 0.045 (1.46e+05/3.25e+06)
                    <3: 0 (0/137)
                   <3w: 0 (0/7.78e+05)
Model  19  Missing interactions: 0.247 (315/1273)
              weighted: 0.0418 (1.37e+05/3.27e+06)
                    <3: 0 (0/135)
                   <3w: 0 (0/7.42e+05)
Model  20  Missing interactions: 0.246 (309/1256)
              weighted: 0.0382 (1.21e+05/3.16e+06)
                    <3: 0 (0/132)
                   <3w: 0 (0/7.45e+05)

Model ave
 Recall: 0.951
 Precision: 
       all: 0.788  allw: 0.979
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.862
 F-measure:(Recall,PrecisionW) 0.965

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 1
 Recall: 0.951
 Precision: 
       all: 0.754  allw: 0.967
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.841
 F-measure:(Recall,PrecisionW) 0.959

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 2
 Recall: 0.956
 Precision: 
       all: 0.754  allw: 0.964
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.843
 F-measure:(Recall,PrecisionW) 0.96

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 3
 Recall: 0.955
 Precision: 
       all: 0.752  allw: 0.956
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.841
 F-measure:(Recall,PrecisionW) 0.955

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 4
 Recall: 0.956
 Precision: 
       all: 0.742  allw: 0.963
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.836
 F-measure:(Recall,PrecisionW) 0.959

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 5
 Recall: 0.96
 Precision: 
       all: 0.758  allw: 0.97
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.847
 F-measure:(Recall,PrecisionW) 0.965

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 6
 Recall: 0.956
 Precision: 
       all: 0.751  allw: 0.965
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.841
 F-measure:(Recall,PrecisionW) 0.96

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 7
 Recall: 0.958
 Precision: 
       all: 0.756  allw: 0.96
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.845
 F-measure:(Recall,PrecisionW) 0.959

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 8
 Recall: 0.958
 Precision: 
       all: 0.764  allw: 0.967
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.85
 F-measure:(Recall,PrecisionW) 0.963

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 9
 Recall: 0.96
 Precision: 
       all: 0.759  allw: 0.964
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.848
 F-measure:(Recall,PrecisionW) 0.962

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 10
 Recall: 0.952
 Precision: 
       all: 0.757  allw: 0.966
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.844
 F-measure:(Recall,PrecisionW) 0.959

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 11
 Recall: 0.956
 Precision: 
       all: 0.755  allw: 0.962
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.843
 F-measure:(Recall,PrecisionW) 0.959

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 12
 Recall: 0.955
 Precision: 
       all: 0.744  allw: 0.96
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.836
 F-measure:(Recall,PrecisionW) 0.957

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 13
 Recall: 0.956
 Precision: 
       all: 0.755  allw: 0.958
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.844
 F-measure:(Recall,PrecisionW) 0.957

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 14
 Recall: 0.955
 Precision: 
       all: 0.752  allw: 0.954
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.841
 F-measure:(Recall,PrecisionW) 0.954

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 15
 Recall: 0.95
 Precision: 
       all: 0.748  allw: 0.961
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.837
 F-measure:(Recall,PrecisionW) 0.956

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 16
 Recall: 0.953
 Precision: 
       all: 0.745  allw: 0.96
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.836
 F-measure:(Recall,PrecisionW) 0.956

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 17
 Recall: 0.956
 Precision: 
       all: 0.756  allw: 0.97
        <3: 0.993  <3w: 1

 F-measure:(Recall,Precision)  0.845
 F-measure:(Recall,PrecisionW) 0.963

 F-measure:(0,PrecisionIdeal)  0.996
 F-measure:(0,PrecisionIdealW) 1

Model 18
 Recall: 0.952
 Precision: 
       all: 0.752  allw: 0.955
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.84
 F-measure:(Recall,PrecisionW) 0.953

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 19
 Recall: 0.955
 Precision: 
       all: 0.753  allw: 0.958
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.842
 F-measure:(Recall,PrecisionW) 0.956

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

Model 20
 Recall: 0.955
 Precision: 
       all: 0.754  allw: 0.962
        <3: 1  <3w: 1

 F-measure:(Recall,Precision)  0.843
 F-measure:(Recall,PrecisionW) 0.958

 F-measure:(0,PrecisionIdeal)  1
 F-measure:(0,PrecisionIdealW) 1

For freely-rotating-chain model:
Model ave Inconsistent score: 0.348(392/1125) 
Model ave  Missing interactions: 0.13 (85/652)
              weighted: 0.0593 (2.23e+04/3.76e+05)
                    <3: 0.0296 (4/135)
                   <3w: 0.0494 (1.05e+04/2.13e+05)

 Recall: 0.652
 Precision: 
       all: 0.87  allw: 0.941

 F-measure:(RecallFree,PrecisionFree)  0.745
 F-measure:(ReallFree,PrecisionFreeW) 0.77

# Summary for c_aro.peaks
Total simulated peaks: 6 Number of peaks NOT matched in the Peak List: 0
M score = 0

Average shift in HX: 0.00075 Average ab-shift in HX: 0.0018(Assignment used: 4)
Average shift in X: 0.071 Average ab-shift in X: 0.071(Assignment used: 4)
Average shift in HX2: -0.00067 Average ab-shift in HX2: 0.0037(Assignment used: 6)

#For peaklist c_aro.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0916(12/131) 
Model   1 Inconsistent score: 0.0458(6/131) 
Model   2 Inconsistent score: 0.0458(6/131) 
Model   3 Inconsistent score: 0.0458(6/131) 
Model   4 Inconsistent score: 0.0458(6/131) 
Model   5 Inconsistent score: 0.0382(5/131) 
Model   6 Inconsistent score: 0.0305(4/131) 
Model   7 Inconsistent score: 0.0458(6/131) 
Model   8 Inconsistent score: 0.0305(4/131) 
Model   9 Inconsistent score: 0.0458(6/131) 
Model  10 Inconsistent score: 0.0916(12/131) 
Model  11 Inconsistent score: 0.0458(6/131) 
Model  12 Inconsistent score: 0.0458(6/131) 
Model  13 Inconsistent score: 0.0305(4/131) 
Model  14 Inconsistent score: 0.0992(13/131) 
Model  15 Inconsistent score: 0.107(14/131) 
Model  16 Inconsistent score: 0.0382(5/131) 
Model  17 Inconsistent score: 0.0382(5/131) 
Model  18 Inconsistent score: 0.0687(9/131) 
Model  19 Inconsistent score: 0.0458(6/131) 
Model  20 Inconsistent score: 0.0382(5/131) 
Model ave  Missing interactions: 0.481 (91/189)
              weighted: 0.0966 (2.05e+04/2.12e+05)
                    <3: 0.417 (10/24)
                   <3w: 0.0247 (1.47e+03/5.93e+04)
Model   1  Missing interactions: 0.475 (97/204)
              weighted: 0.181 (5.94e+04/3.28e+05)
                    <3: 0.391 (9/23)
                   <3w: 0.0237 (1.42e+03/5.99e+04)
Model   2  Missing interactions: 0.495 (106/214)
              weighted: 0.191 (6.08e+04/3.19e+05)
                    <3: 0.364 (8/22)
                   <3w: 0.0224 (1.33e+03/5.93e+04)
Model   3  Missing interactions: 0.502 (107/213)
              weighted: 0.186 (6.11e+04/3.28e+05)
                    <3: 0.364 (8/22)
                   <3w: 0.0224 (1.33e+03/5.93e+04)
Model   4  Missing interactions: 0.486 (103/212)
              weighted: 0.16 (5.48e+04/3.43e+05)
                    <3: 0.364 (8/22)
                   <3w: 0.0224 (1.33e+03/5.93e+04)
Model   5  Missing interactions: 0.53 (122/230)
              weighted: 0.115 (3.78e+04/3.28e+05)
                    <3: 0.391 (9/23)
                   <3w: 0.0239 (1.42e+03/5.95e+04)
Model   6  Missing interactions: 0.514 (114/222)
              weighted: 0.141 (4.2e+04/2.97e+05)
                    <3: 0.364 (8/22)
                   <3w: 0.0224 (1.33e+03/5.93e+04)
Model   7  Missing interactions: 0.514 (114/222)
              weighted: 0.164 (5.37e+04/3.27e+05)
                    <3: 0.391 (9/23)
                   <3w: 0.0237 (1.41e+03/5.94e+04)
Model   8  Missing interactions: 0.517 (119/230)
              weighted: 0.124 (3.84e+04/3.1e+05)
                    <3: 0.364 (8/22)
                   <3w: 0.0224 (1.33e+03/5.93e+04)
Model   9  Missing interactions: 0.498 (107/215)
              weighted: 0.177 (6.02e+04/3.41e+05)
                    <3: 0.364 (8/22)
                   <3w: 0.0224 (1.33e+03/5.93e+04)
Model  10  Missing interactions: 0.523 (115/220)
              weighted: 0.2 (5.96e+04/2.97e+05)
                    <3: 0.364 (8/22)
                   <3w: 0.0224 (1.33e+03/5.93e+04)
Model  11  Missing interactions: 0.502 (109/217)
              weighted: 0.196 (6.1e+04/3.12e+05)
                    <3: 0.364 (8/22)
                   <3w: 0.0224 (1.33e+03/5.93e+04)
Model  12  Missing interactions: 0.495 (105/212)
              weighted: 0.176 (5.86e+04/3.33e+05)
                    <3: 0.417 (10/24)
                   <3w: 0.0247 (1.48e+03/5.99e+04)
Model  13  Missing interactions: 0.498 (107/215)
              weighted: 0.138 (4.37e+04/3.17e+05)
                    <3: 0.364 (8/22)
                   <3w: 0.0224 (1.33e+03/5.93e+04)
Model  14  Missing interactions: 0.525 (115/219)
              weighted: 0.215 (6.23e+04/2.89e+05)
                    <3: 0.364 (8/22)
                   <3w: 0.0224 (1.33e+03/5.93e+04)
Model  15  Missing interactions: 0.531 (111/209)
              weighted: 0.187 (5.99e+04/3.2e+05)
                    <3: 0.364 (8/22)
                   <3w: 0.0224 (1.33e+03/5.93e+04)
Model  16  Missing interactions: 0.505 (111/220)
              weighted: 0.145 (4.62e+04/3.2e+05)
                    <3: 0.364 (8/22)
                   <3w: 0.0224 (1.33e+03/5.93e+04)
Model  17  Missing interactions: 0.526 (122/232)
              weighted: 0.136 (4.36e+04/3.21e+05)
                    <3: 0.391 (9/23)
                   <3w: 0.0234 (1.39e+03/5.94e+04)
Model  18  Missing interactions: 0.523 (112/214)
              weighted: 0.262 (8.6e+04/3.28e+05)
                    <3: 0.391 (9/23)
                   <3w: 0.0237 (1.42e+03/5.97e+04)
Model  19  Missing interactions: 0.505 (110/218)
              weighted: 0.17 (5.75e+04/3.39e+05)
                    <3: 0.364 (8/22)
                   <3w: 0.0224 (1.33e+03/5.93e+04)
Model  20  Missing interactions: 0.516 (113/219)
              weighted: 0.119 (3.72e+04/3.12e+05)
                    <3: 0.364 (8/22)
                   <3w: 0.0224 (1.33e+03/5.93e+04)

Model ave
 Recall: 0.908
 Precision: 
       all: 0.519  allw: 0.903
        <3: 0.583  <3w: 0.975

 F-measure:(Recall,Precision)  0.66
 F-measure:(Recall,PrecisionW) 0.906

 F-measure:(0,PrecisionIdeal)  0.737
 F-measure:(0,PrecisionIdealW) 0.987

Model 1
 Recall: 0.954
 Precision: 
       all: 0.525  allw: 0.819
        <3: 0.609  <3w: 0.976

 F-measure:(Recall,Precision)  0.677
 F-measure:(Recall,PrecisionW) 0.881

 F-measure:(0,PrecisionIdeal)  0.757
 F-measure:(0,PrecisionIdealW) 0.988

Model 2
 Recall: 0.954
 Precision: 
       all: 0.505  allw: 0.809
        <3: 0.636  <3w: 0.978

 F-measure:(Recall,Precision)  0.66
 F-measure:(Recall,PrecisionW) 0.876

 F-measure:(0,PrecisionIdeal)  0.778
 F-measure:(0,PrecisionIdealW) 0.989

Model 3
 Recall: 0.954
 Precision: 
       all: 0.498  allw: 0.814
        <3: 0.636  <3w: 0.978

 F-measure:(Recall,Precision)  0.654
 F-measure:(Recall,PrecisionW) 0.878

 F-measure:(0,PrecisionIdeal)  0.778
 F-measure:(0,PrecisionIdealW) 0.989

Model 4
 Recall: 0.954
 Precision: 
       all: 0.514  allw: 0.84
        <3: 0.636  <3w: 0.978

 F-measure:(Recall,Precision)  0.668
 F-measure:(Recall,PrecisionW) 0.894

 F-measure:(0,PrecisionIdeal)  0.778
 F-measure:(0,PrecisionIdealW) 0.989

Model 5
 Recall: 0.962
 Precision: 
       all: 0.47  allw: 0.885
        <3: 0.609  <3w: 0.976

 F-measure:(Recall,Precision)  0.631
 F-measure:(Recall,PrecisionW) 0.922

 F-measure:(0,PrecisionIdeal)  0.757
 F-measure:(0,PrecisionIdealW) 0.988

Model 6
 Recall: 0.969
 Precision: 
       all: 0.486  allw: 0.859
        <3: 0.636  <3w: 0.978

 F-measure:(Recall,Precision)  0.648
 F-measure:(Recall,PrecisionW) 0.911

 F-measure:(0,PrecisionIdeal)  0.778
 F-measure:(0,PrecisionIdealW) 0.989

Model 7
 Recall: 0.954
 Precision: 
       all: 0.486  allw: 0.836
        <3: 0.609  <3w: 0.976

 F-measure:(Recall,Precision)  0.644
 F-measure:(Recall,PrecisionW) 0.891

 F-measure:(0,PrecisionIdeal)  0.757
 F-measure:(0,PrecisionIdealW) 0.988

Model 8
 Recall: 0.969
 Precision: 
       all: 0.483  allw: 0.876
        <3: 0.636  <3w: 0.978

 F-measure:(Recall,Precision)  0.644
 F-measure:(Recall,PrecisionW) 0.92

 F-measure:(0,PrecisionIdeal)  0.778
 F-measure:(0,PrecisionIdealW) 0.989

Model 9
 Recall: 0.954
 Precision: 
       all: 0.502  allw: 0.823
        <3: 0.636  <3w: 0.978

 F-measure:(Recall,Precision)  0.658
 F-measure:(Recall,PrecisionW) 0.884

 F-measure:(0,PrecisionIdeal)  0.778
 F-measure:(0,PrecisionIdealW) 0.989

Model 10
 Recall: 0.908
 Precision: 
       all: 0.477  allw: 0.8
        <3: 0.636  <3w: 0.978

 F-measure:(Recall,Precision)  0.626
 F-measure:(Recall,PrecisionW) 0.851

 F-measure:(0,PrecisionIdeal)  0.778
 F-measure:(0,PrecisionIdealW) 0.989

Model 11
 Recall: 0.954
 Precision: 
       all: 0.498  allw: 0.804
        <3: 0.636  <3w: 0.978

 F-measure:(Recall,Precision)  0.654
 F-measure:(Recall,PrecisionW) 0.873

 F-measure:(0,PrecisionIdeal)  0.778
 F-measure:(0,PrecisionIdealW) 0.989

Model 12
 Recall: 0.954
 Precision: 
       all: 0.505  allw: 0.824
        <3: 0.583  <3w: 0.975

 F-measure:(Recall,Precision)  0.66
 F-measure:(Recall,PrecisionW) 0.884

 F-measure:(0,PrecisionIdeal)  0.737
 F-measure:(0,PrecisionIdealW) 0.987

Model 13
 Recall: 0.969
 Precision: 
       all: 0.502  allw: 0.862
        <3: 0.636  <3w: 0.978

 F-measure:(Recall,Precision)  0.662
 F-measure:(Recall,PrecisionW) 0.913

 F-measure:(0,PrecisionIdeal)  0.778
 F-measure:(0,PrecisionIdealW) 0.989

Model 14
 Recall: 0.901
 Precision: 
       all: 0.475  allw: 0.785
        <3: 0.636  <3w: 0.978

 F-measure:(Recall,Precision)  0.622
 F-measure:(Recall,PrecisionW) 0.839

 F-measure:(0,PrecisionIdeal)  0.778
 F-measure:(0,PrecisionIdealW) 0.989

Model 15
 Recall: 0.893
 Precision: 
       all: 0.469  allw: 0.813
        <3: 0.636  <3w: 0.978

 F-measure:(Recall,Precision)  0.615
 F-measure:(Recall,PrecisionW) 0.851

 F-measure:(0,PrecisionIdeal)  0.778
 F-measure:(0,PrecisionIdealW) 0.989

Model 16
 Recall: 0.962
 Precision: 
       all: 0.495  allw: 0.855
        <3: 0.636  <3w: 0.978

 F-measure:(Recall,Precision)  0.654
 F-measure:(Recall,PrecisionW) 0.906

 F-measure:(0,PrecisionIdeal)  0.778
 F-measure:(0,PrecisionIdealW) 0.989

Model 17
 Recall: 0.962
 Precision: 
       all: 0.474  allw: 0.864
        <3: 0.609  <3w: 0.977

 F-measure:(Recall,Precision)  0.635
 F-measure:(Recall,PrecisionW) 0.91

 F-measure:(0,PrecisionIdeal)  0.757
 F-measure:(0,PrecisionIdealW) 0.988

Model 18
 Recall: 0.931
 Precision: 
       all: 0.477  allw: 0.738
        <3: 0.609  <3w: 0.976

 F-measure:(Recall,Precision)  0.631
 F-measure:(Recall,PrecisionW) 0.823

 F-measure:(0,PrecisionIdeal)  0.757
 F-measure:(0,PrecisionIdealW) 0.988

Model 19
 Recall: 0.954
 Precision: 
       all: 0.495  allw: 0.83
        <3: 0.636  <3w: 0.978

 F-measure:(Recall,Precision)  0.652
 F-measure:(Recall,PrecisionW) 0.888

 F-measure:(0,PrecisionIdeal)  0.778
 F-measure:(0,PrecisionIdealW) 0.989

Model 20
 Recall: 0.962
 Precision: 
       all: 0.484  allw: 0.881
        <3: 0.636  <3w: 0.978

 F-measure:(Recall,Precision)  0.644
 F-measure:(Recall,PrecisionW) 0.92

 F-measure:(0,PrecisionIdeal)  0.778
 F-measure:(0,PrecisionIdealW) 0.989

For freely-rotating-chain model:
Model ave Inconsistent score: 0.626(82/131) 
Model ave  Missing interactions: 0.469 (30/64)
              weighted: 0.613 (2.7e+04/4.41e+04)
                    <3: 0.559 (19/34)
                   <3w: 0.651 (2.6e+04/3.99e+04)

 Recall: 0.374
 Precision: 
       all: 0.531  allw: 0.387

 F-measure:(RecallFree,PrecisionFree)  0.439
 F-measure:(ReallFree,PrecisionFreeW) 0.38

# Summary for c_ali.peaks
Total simulated peaks: 733 Number of peaks NOT matched in the Peak List: 31
M score = 0.042

Average shift in HX: -0.00039 Average ab-shift in HX: 0.0011(Assignment used: 350)
Average shift in X: 3e-05 Average ab-shift in X: 0.005(Assignment used: 264)
Average shift in HX2: -4.8e-05 Average ab-shift in HX2: 0.0013(Assignment used: 412)

#For peaklist c_ali.peaks:
 Rmax: 5
Model ave Inconsistent score: 0.0139(43/3099) 
Model   1 Inconsistent score: 0.0145(45/3099) 
Model   2 Inconsistent score: 0.0136(42/3099) 
Model   3 Inconsistent score: 0.0126(39/3099) 
Model   4 Inconsistent score: 0.0158(49/3099) 
Model   5 Inconsistent score: 0.0126(39/3099) 
Model   6 Inconsistent score: 0.0136(42/3099) 
Model   7 Inconsistent score: 0.0142(44/3099) 
Model   8 Inconsistent score: 0.0106(33/3099) 
Model   9 Inconsistent score: 0.0139(43/3099) 
Model  10 Inconsistent score: 0.0136(42/3099) 
Model  11 Inconsistent score: 0.0148(46/3099) 
Model  12 Inconsistent score: 0.0152(47/3099) 
Model  13 Inconsistent score: 0.0116(36/3099) 
Model  14 Inconsistent score: 0.0177(55/3099) 
Model  15 Inconsistent score: 0.0158(49/3099) 
Model  16 Inconsistent score: 0.0129(40/3099) 
Model  17 Inconsistent score: 0.0142(44/3099) 
Model  18 Inconsistent score: 0.0177(55/3099) 
Model  19 Inconsistent score: 0.0155(48/3099) 
Model  20 Inconsistent score: 0.0106(33/3099) 
Model ave  Missing interactions: 0.41 (1.52e+03/3713)
              weighted: 0.0837 (7.87e+05/9.4e+06)
                    <3: 0.0341 (18/528)
                   <3w: 0.0169 (8.06e+04/4.77e+06)
Model   1  Missing interactions: 0.442 (1.78e+03/4038)
              weighted: 0.122 (1.37e+06/1.13e+07)
                    <3: 0.034 (18/530)
                   <3w: 0.0177 (8.54e+04/4.83e+06)
Model   2  Missing interactions: 0.444 (1.82e+03/4098)
              weighted: 0.121 (1.4e+06/1.15e+07)
                    <3: 0.034 (18/529)
                   <3w: 0.0174 (8.49e+04/4.87e+06)
Model   3  Missing interactions: 0.439 (1.8e+03/4093)
              weighted: 0.123 (1.4e+06/1.14e+07)
                    <3: 0.0338 (18/533)
                   <3w: 0.0178 (8.63e+04/4.85e+06)
Model   4  Missing interactions: 0.447 (1.85e+03/4141)
              weighted: 0.115 (1.29e+06/1.12e+07)
                    <3: 0.0338 (18/532)
                   <3w: 0.0152 (7.24e+04/4.77e+06)
Model   5  Missing interactions: 0.447 (1.85e+03/4150)
              weighted: 0.125 (1.44e+06/1.15e+07)
                    <3: 0.0338 (18/532)
                   <3w: 0.0156 (7.61e+04/4.88e+06)
Model   6  Missing interactions: 0.448 (1.85e+03/4129)
              weighted: 0.127 (1.45e+06/1.14e+07)
                    <3: 0.0339 (18/531)
                   <3w: 0.0148 (7.28e+04/4.93e+06)
Model   7  Missing interactions: 0.441 (1.79e+03/4057)
              weighted: 0.122 (1.38e+06/1.13e+07)
                    <3: 0.034 (18/529)
                   <3w: 0.0152 (7.49e+04/4.93e+06)
Model   8  Missing interactions: 0.442 (1.81e+03/4090)
              weighted: 0.11 (1.23e+06/1.12e+07)
                    <3: 0.0338 (18/532)
                   <3w: 0.015 (7.3e+04/4.87e+06)
Model   9  Missing interactions: 0.445 (1.84e+03/4136)
              weighted: 0.125 (1.43e+06/1.15e+07)
                    <3: 0.0341 (18/528)
                   <3w: 0.0181 (8.78e+04/4.85e+06)
Model  10  Missing interactions: 0.446 (1.83e+03/4102)
              weighted: 0.13 (1.5e+06/1.15e+07)
                    <3: 0.0338 (18/532)
                   <3w: 0.0151 (7.4e+04/4.89e+06)
Model  11  Missing interactions: 0.444 (1.82e+03/4104)
              weighted: 0.127 (1.46e+06/1.15e+07)
                    <3: 0.034 (18/529)
                   <3w: 0.0174 (8.5e+04/4.89e+06)
Model  12  Missing interactions: 0.443 (1.81e+03/4092)
              weighted: 0.129 (1.47e+06/1.14e+07)
                    <3: 0.0342 (18/527)
                   <3w: 0.0161 (7.83e+04/4.87e+06)
Model  13  Missing interactions: 0.438 (1.75e+03/4006)
              weighted: 0.114 (1.27e+06/1.11e+07)
                    <3: 0.034 (18/529)
                   <3w: 0.0202 (9.85e+04/4.88e+06)
Model  14  Missing interactions: 0.449 (1.85e+03/4126)
              weighted: 0.124 (1.4e+06/1.13e+07)
                    <3: 0.034 (18/529)
                   <3w: 0.0148 (7.34e+04/4.94e+06)
Model  15  Missing interactions: 0.448 (1.84e+03/4105)
              weighted: 0.131 (1.52e+06/1.16e+07)
                    <3: 0.034 (18/530)
                   <3w: 0.0174 (8.56e+04/4.91e+06)
Model  16  Missing interactions: 0.447 (1.84e+03/4130)
              weighted: 0.122 (1.38e+06/1.13e+07)
                    <3: 0.034 (18/529)
                   <3w: 0.0175 (8.49e+04/4.86e+06)
Model  17  Missing interactions: 0.442 (1.8e+03/4077)
              weighted: 0.113 (1.29e+06/1.14e+07)
                    <3: 0.0339 (18/531)
                   <3w: 0.015 (7.35e+04/4.89e+06)
Model  18  Missing interactions: 0.443 (1.8e+03/4072)
              weighted: 0.128 (1.46e+06/1.14e+07)
                    <3: 0.0339 (18/531)
                   <3w: 0.0173 (8.43e+04/4.87e+06)
Model  19  Missing interactions: 0.444 (1.82e+03/4111)
              weighted: 0.12 (1.36e+06/1.14e+07)
                    <3: 0.034 (18/530)
                   <3w: 0.0151 (7.34e+04/4.85e+06)
Model  20  Missing interactions: 0.442 (1.79e+03/4050)
              weighted: 0.116 (1.3e+06/1.11e+07)
                    <3: 0.0342 (18/527)
                   <3w: 0.0143 (7.11e+04/4.96e+06)

Model ave
 Recall: 0.986
 Precision: 
       all: 0.59  allw: 0.916
        <3: 0.966  <3w: 0.983

 F-measure:(Recall,Precision)  0.738
 F-measure:(Recall,PrecisionW) 0.95

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.991

Model 1
 Recall: 0.985
 Precision: 
       all: 0.558  allw: 0.878
        <3: 0.966  <3w: 0.982

 F-measure:(Recall,Precision)  0.713
 F-measure:(Recall,PrecisionW) 0.929

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.991

Model 2
 Recall: 0.986
 Precision: 
       all: 0.556  allw: 0.879
        <3: 0.966  <3w: 0.983

 F-measure:(Recall,Precision)  0.711
 F-measure:(Recall,PrecisionW) 0.929

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.991

Model 3
 Recall: 0.987
 Precision: 
       all: 0.561  allw: 0.877
        <3: 0.966  <3w: 0.982

 F-measure:(Recall,Precision)  0.715
 F-measure:(Recall,PrecisionW) 0.929

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.991

Model 4
 Recall: 0.984
 Precision: 
       all: 0.553  allw: 0.885
        <3: 0.966  <3w: 0.985

 F-measure:(Recall,Precision)  0.708
 F-measure:(Recall,PrecisionW) 0.932

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.992

Model 5
 Recall: 0.987
 Precision: 
       all: 0.553  allw: 0.875
        <3: 0.966  <3w: 0.984

 F-measure:(Recall,Precision)  0.709
 F-measure:(Recall,PrecisionW) 0.928

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.992

Model 6
 Recall: 0.986
 Precision: 
       all: 0.552  allw: 0.873
        <3: 0.966  <3w: 0.985

 F-measure:(Recall,Precision)  0.708
 F-measure:(Recall,PrecisionW) 0.927

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.993

Model 7
 Recall: 0.986
 Precision: 
       all: 0.559  allw: 0.878
        <3: 0.966  <3w: 0.985

 F-measure:(Recall,Precision)  0.713
 F-measure:(Recall,PrecisionW) 0.929

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.992

Model 8
 Recall: 0.989
 Precision: 
       all: 0.558  allw: 0.89
        <3: 0.966  <3w: 0.985

 F-measure:(Recall,Precision)  0.714
 F-measure:(Recall,PrecisionW) 0.937

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.992

Model 9
 Recall: 0.986
 Precision: 
       all: 0.555  allw: 0.875
        <3: 0.966  <3w: 0.982

 F-measure:(Recall,Precision)  0.711
 F-measure:(Recall,PrecisionW) 0.927

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.991

Model 10
 Recall: 0.986
 Precision: 
       all: 0.554  allw: 0.87
        <3: 0.966  <3w: 0.985

 F-measure:(Recall,Precision)  0.71
 F-measure:(Recall,PrecisionW) 0.924

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.992

Model 11
 Recall: 0.985
 Precision: 
       all: 0.556  allw: 0.873
        <3: 0.966  <3w: 0.983

 F-measure:(Recall,Precision)  0.71
 F-measure:(Recall,PrecisionW) 0.926

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.991

Model 12
 Recall: 0.985
 Precision: 
       all: 0.557  allw: 0.871
        <3: 0.966  <3w: 0.984

 F-measure:(Recall,Precision)  0.712
 F-measure:(Recall,PrecisionW) 0.925

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.992

Model 13
 Recall: 0.988
 Precision: 
       all: 0.562  allw: 0.886
        <3: 0.966  <3w: 0.98

 F-measure:(Recall,Precision)  0.717
 F-measure:(Recall,PrecisionW) 0.934

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.99

Model 14
 Recall: 0.982
 Precision: 
       all: 0.551  allw: 0.876
        <3: 0.966  <3w: 0.985

 F-measure:(Recall,Precision)  0.706
 F-measure:(Recall,PrecisionW) 0.926

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.993

Model 15
 Recall: 0.984
 Precision: 
       all: 0.552  allw: 0.869
        <3: 0.966  <3w: 0.983

 F-measure:(Recall,Precision)  0.707
 F-measure:(Recall,PrecisionW) 0.923

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.991

Model 16
 Recall: 0.987
 Precision: 
       all: 0.553  allw: 0.878
        <3: 0.966  <3w: 0.983

 F-measure:(Recall,Precision)  0.709
 F-measure:(Recall,PrecisionW) 0.929

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.991

Model 17
 Recall: 0.986
 Precision: 
       all: 0.558  allw: 0.887
        <3: 0.966  <3w: 0.985

 F-measure:(Recall,Precision)  0.712
 F-measure:(Recall,PrecisionW) 0.934

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.992

Model 18
 Recall: 0.982
 Precision: 
       all: 0.557  allw: 0.872
        <3: 0.966  <3w: 0.983

 F-measure:(Recall,Precision)  0.711
 F-measure:(Recall,PrecisionW) 0.924

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.991

Model 19
 Recall: 0.985
 Precision: 
       all: 0.556  allw: 0.88
        <3: 0.966  <3w: 0.985

 F-measure:(Recall,Precision)  0.711
 F-measure:(Recall,PrecisionW) 0.93

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.992

Model 20
 Recall: 0.989
 Precision: 
       all: 0.558  allw: 0.884
        <3: 0.966  <3w: 0.986

 F-measure:(Recall,Precision)  0.714
 F-measure:(Recall,PrecisionW) 0.933

 F-measure:(0,PrecisionIdeal)  0.983
 F-measure:(0,PrecisionIdealW) 0.993

For freely-rotating-chain model:
Model ave Inconsistent score: 0.28(867/3099) 
Model ave  Missing interactions: 0.288 (459/1595)
              weighted: 0.0908 (1.02e+05/1.12e+06)
                    <3: 0.0344 (18/524)
                   <3w: 0.0327 (2.66e+04/8.13e+05)

 Recall: 0.72
 Precision: 
       all: 0.712  allw: 0.909

 F-measure:(RecallFree,PrecisionFree)  0.716
 F-measure:(ReallFree,PrecisionFreeW) 0.804


 Final M-score 0.0354 31/876

Model ave

 Final Recall-score for input query structures: 0.975
 Final Precision-score for input query structures: 0.93

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

 Final Recall-score for freely-rotating-chain model: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.952
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.805

Model 1

 Final Recall-score for input query structures: 0.976
 Final Precision-score for input query structures: 0.896

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

 Final Recall-score for freely-rotating-chain model: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.934
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.722

Model 2

 Final Recall-score for input query structures: 0.977
 Final Precision-score for input query structures: 0.896

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

 Final Recall-score for freely-rotating-chain model: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.935
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.727

Model 3

 Final Recall-score for input query structures: 0.978
 Final Precision-score for input query structures: 0.893

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

 Final Recall-score for freely-rotating-chain model: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.934
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.722

Model 4

 Final Recall-score for input query structures: 0.976
 Final Precision-score for input query structures: 0.901

 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: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.937
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.733

Model 5

 Final Recall-score for input query structures: 0.98
 Final Precision-score for input query structures: 0.896

 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: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.936
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.729

Model 6

 Final Recall-score for input query structures: 0.978
 Final Precision-score for input query structures: 0.893

 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: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.934
 F-score of ideal true structures:       0.994
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.716

Model 7

 Final Recall-score for input query structures: 0.978
 Final Precision-score for input query structures: 0.895

 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: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.935
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.724

Model 8

 Final Recall-score for input query structures: 0.981
 Final Precision-score for input query structures: 0.906

 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: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.942
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.757

Model 9

 Final Recall-score for input query structures: 0.978
 Final Precision-score for input query structures: 0.893

 Final Recall-score for ideal true structures: 1
 Final Precision-score for ideal true structures: 0.984

 Final Recall-score for freely-rotating-chain model: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.934
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.722

Model 10

 Final Recall-score for input query structures: 0.975
 Final Precision-score for input query structures: 0.889

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

 Final Recall-score for freely-rotating-chain model: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.93
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.7

Model 11

 Final Recall-score for input query structures: 0.977
 Final Precision-score for input query structures: 0.89

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

 Final Recall-score for freely-rotating-chain model: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.932
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.713

Model 12

 Final Recall-score for input query structures: 0.976
 Final Precision-score for input query structures: 0.889

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

 Final Recall-score for freely-rotating-chain model: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.931
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.705

Model 13

 Final Recall-score for input query structures: 0.98
 Final Precision-score for input query structures: 0.901

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

 Final Recall-score for freely-rotating-chain model: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.939
 F-score of ideal true structures:       0.991
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.75

Model 14

 Final Recall-score for input query structures: 0.973
 Final Precision-score for input query structures: 0.891

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

 Final Recall-score for freely-rotating-chain model: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.93
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.7

Model 15

 Final Recall-score for input query structures: 0.973
 Final Precision-score for input query structures: 0.887

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

 Final Recall-score for freely-rotating-chain model: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.928
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.694

Model 16

 Final Recall-score for input query structures: 0.977
 Final Precision-score for input query structures: 0.895

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

 Final Recall-score for freely-rotating-chain model: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.934
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.722

Model 17

 Final Recall-score for input query structures: 0.977
 Final Precision-score for input query structures: 0.905

 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: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.94
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.748

Model 18

 Final Recall-score for input query structures: 0.973
 Final Precision-score for input query structures: 0.887

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

 Final Recall-score for freely-rotating-chain model: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.928
 F-score of ideal true structures:       0.992
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.694

Model 19

 Final Recall-score for input query structures: 0.976
 Final Precision-score for input query structures: 0.896

 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: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.934
 F-score of ideal true structures:       0.993
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.719

Model 20

 Final Recall-score for input query structures: 0.98
 Final Precision-score for input query structures: 0.9

 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: 0.692
 Final Precision-score for freely-rotating-chain model: 0.902

 Summary:
 F-score of input query structures:      0.938
 F-score of ideal true structures:       0.994
 F-score of freely-rotating-chain model: 0.783

 DP-Score: 0.735

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

NOESY_Assign:
      User CPU Time:       50.7 sec.
      Syst CPU Time:       0.83 sec.
Other Processes:
      User CPU Time:       0.58 sec.
      Syst CPU Time:       0.05 sec.

Total Elapsed Time:       52.2 sec. 
