+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXS-97 - CRYSTAL STRUCTURE SOLUTION - WinGX VERSION + + Copyright(C) George M. Sheldrick 1986-97 Release 97-2 + + 2008src0770 started at 17:27:07 on 05 Jul 2008 + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TITL 2008src0770 in P2(1)/n CELL 0.71073 11.4631 12.2418 17.1604 90.000 95.555 90.000 ZERR 4.00 0.0001 0.0002 0.0002 0.000 0.001 0.000 LATT 1 SYMM 0.5-X, 0.5+Y, 0.5-Z SFAC C H N CL RH UNIT 116 136 8 4 4 V = 2396.79 At vol = 18.2 F(000) = 1136.0 mu = 0.84 mm-1 Max single Patterson vector = 144.9 cell wt = 2195.77 rho = 1.521 OMIT 4.00 180.00 ESEL 1.200 5.000 0.005 0.700 0 TREF HKLF 4 h k l F*F Sigma Why Rejected -3.00 0.00 0.00 2.16 0.53 Observed but should be systematically absent 0.00 3.00 0.00 6.98 0.63 Observed but should be systematically absent 0.00 -3.00 0.00 5.21 0.71 Observed but should be systematically absent 0.00 3.00 0.00 6.30 0.61 Observed but should be systematically absent 0.00 -3.00 0.00 6.82 0.53 Observed but should be systematically absent -2.00 0.00 1.00 6.30 0.51 Observed but should be systematically absent 2.00 0.00 -1.00 6.33 0.69 Observed but should be systematically absent 2.00 0.00 -1.00 6.43 0.93 Observed but should be systematically absent 1.00 0.00 2.00 5.76 0.89 Observed but should be systematically absent -1.00 0.00 -2.00 6.39 0.72 Observed but should be systematically absent 1.00 0.00 2.00 6.94 0.50 Observed but should be systematically absent -1.00 0.00 -2.00 6.49 0.75 Observed but should be systematically absent -3.00 0.00 -4.00 3.05 0.63 Observed but should be systematically absent 3.00 0.00 4.00 3.54 0.48 Observed but should be systematically absent 3.00 0.00 4.00 3.53 0.77 Observed but should be systematically absent -3.00 0.00 -4.00 4.33 0.84 Observed but should be systematically absent -1.00 0.00 6.00 4.34 0.75 Observed but should be systematically absent 0.00 0.00 -13.00 5.36 1.11 Observed but should be systematically absent 30281 Reflections read, of which 796 rejected Maximum h, k, l and 2-Theta = 14. 15. 22. 55.01 5487 Unique reflections, of which 5162 observed R(int) = 0.0359 R(sigma) = 0.0269 Friedel opposites merged NUMBER OF UNIQUE DATA AS A FUNCTION OF RESOLUTION IN ANGSTROMS Resolution Inf 5.00 3.50 2.50 2.00 1.70 1.50 1.40 1.30 1.20 1.10 1.00 0.90 0.80 N(observed) 12. 37. 102. 154. 194. 232. 164. 215. 320. 420. 601. 876. 1319. N(measured) 12. 37. 102. 156. 195. 234. 166. 221. 324. 431. 625. 931. 1464. N(theory) 20. 37. 102. 156. 195. 234. 166. 221. 324. 431. 625. 931. 1464. Two-theta 0.0 8.2 11.7 16.3 20.5 24.1 27.4 29.4 31.7 34.5 37.7 41.6 46.5 52.7 Highest memory for sort/merge = 10803 / 27435 Observed E .GT. 1.200 1.300 1.400 1.500 1.600 1.700 1.800 1.900 2.000 2.100 Number 1698 1463 1259 1067 888 721 580 449 339 251 Centric Acentric 0kl h0l hk0 Rest Mean Abs(E*E-1) 0.968 0.736 0.929 0.772 1.001 0.919 0.7 seconds CPU time SUMMARY OF PARAMETERS FOR 2008src0770 in P2(1)/n ESEL Emin 1.200 Emax 5.000 DelU 0.005 renorm 0.700 axis 0 OMIT s 4.00 2theta(lim) 180.0 INIT nn 13 nf 16 s+ 0.800 s- 0.200 wr 0.200 PHAN steps 10 cool 0.900 Boltz 0.400 ns 196 mtpr 40 mnqr 10 TREF np 256. nE 333 kapscal 0.900 ntan 2 wn -0.950 FMAP code 8 PLAN npeaks -46 del1 0.500 del2 1.500 MORE verbosity 1 TIME t 9999999. 196 Reflections and 2872. unique TPR for phase annealing 333 Phases refined using 11467. unique TPR 551 Reflections and 22958. unique TPR for R(alpha) 0.2 seconds CPU time 155 Unique negative quartets found, 155 used for phase refinement 0.1 seconds CPU time Highest memory used to derive phase relations = 8641 / 22032 ONE-PHASE SEMINVARIANTS h k l E P+ Phi -2 0 12 2.124 0.00 -2 6 12 2.679 0.37 10 0 6 2.217 0.00 -6 8 8 2.675 0.34 2 8 6 2.293 0.38 -4 8 6 2.460 0.68 4 2 4 2.160 0.39 -6 8 6 2.491 0.48 0 6 0 1.884 1.00 8 8 0 2.415 0.36 4 8 4 1.853 0.57 -4 8 4 2.048 0.47 6 8 2 1.753 0.46 -6 2 8 1.978 0.44 6 8 4 2.105 0.76 4 2 2 1.928 0.49 4 8 6 2.040 0.40 4 8 2 1.870 0.56 -2 6 10 1.784 0.39 -8 6 2 1.975 0.85 -4 6 14 1.876 0.57 2 2 14 2.221 0.71 8 6 6 2.097 0.42 8 6 0 2.039 0.43 6 0 8 1.887 1.00 -4 6 12 1.914 0.44 -8 8 2 1.895 0.42 0 0 8 1.644 0.00 -2 0 4 1.594 0.98 8 0 8 1.600 1.00 -2 6 2 1.459 0.44 -4 0 2 1.532 0.05 8 0 6 1.539 0.01 -8 2 8 1.973 0.46 -10 0 2 1.528 1.00 2 6 0 1.690 0.44 2 2 16 2.069 0.43 2 2 6 1.396 0.64 0 6 8 1.466 0.42 -8 2 10 1.933 0.48 2 8 8 1.663 0.61 2 2 4 1.650 0.43 0 0 12 1.567 0.02 2 8 4 1.628 0.47 2 0 4 1.667 0.53 Expected value of Sigma-1 = 0.960 Following phases held constant with unit weights for the initial 4 weighted tangent cycles (before phase annealing): h k l E Phase/Comment -2 0 12 2.124 180 sigma-1 = 0.000 10 0 6 2.217 180 sigma-1 = 0.002 2 3 3 2.078 random phase 4 2 4 2.160 random phase -2 5 5 2.122 random phase 0 6 0 1.884 0 sigma-1 = 1.000 -5 3 8 2.051 random phase -4 1 2 1.957 random phase 9 0 5 2.041 random phase 2 1 4 2.046 random phase 5 1 1 1.959 random phase 6 8 4 2.105 random phase -3 9 5 2.131 random phase -8 6 2 1.975 0 sigma-1 = 0.851 2 2 14 2.221 random phase 1 8 1 2.026 random phase 0 3 11 1.905 random phase 6 0 8 1.887 0 sigma-1 = 0.998 All other phases random with initial weights of 0.200 replaced by 0.2*alpha (or 1 if less) during first 4 cycles - unit weights for all phases thereafter 1 Unique NQR employed in phase annealing 128 Parallel refinements, highest memory = 7076 / 100195 0.1 seconds CPU time STRUCTURE SOLUTION for 2008src0770 in P2(1)/n Phase annealing cycle: 1 Beta = 0.03302 Ralpha 0.020 0.181 0.201 0.844 0.430 0.021 0.286 0.165 0.192 0.020 0.480 0.532 0.212 0.368 0.148 0.020 0.417 0.536 0.289 0.156 Nqual -0.596-1.000-0.006 1.000 0.064 0.484 0.124 0.493-0.726-1.000-0.373 1.000-0.658-1.000 0.054-1.000 1.000 0.446-1.000-1.000 Mabs 1.120 0.807 0.774 0.528 0.649 1.144 0.710 0.810 0.780 1.134 0.629 0.614 0.773 0.683 0.846 1.139 0.661 0.610 0.715 0.835 Phase annealing cycle: 2 Beta = 0.03669 Ralpha 0.030 0.163 0.122 0.204 0.379 0.030 0.153 0.132 0.156 0.030 0.307 0.415 0.177 0.261 0.115 0.030 0.418 0.164 0.227 0.126 Nqual -1.000-1.000-1.000 1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000 1.000 1.000-1.000-1.000-1.000 0.759-1.000-1.000-1.000 Mabs 1.207 0.839 0.894 0.794 0.680 1.207 0.848 0.885 0.847 1.207 0.729 0.660 0.834 0.754 0.907 1.207 0.661 0.817 0.766 0.901 Phase annealing cycle: 3 Beta = 0.04077 Ralpha 0.030 0.156 0.133 0.172 0.381 0.030 0.153 0.130 0.155 0.030 0.157 0.391 0.175 0.147 0.107 0.030 0.417 0.115 0.237 0.123 Nqual -1.000-1.000-1.000 1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000-0.231 1.000-1.000-1.000-1.000-0.515-1.000-1.000-1.000 Mabs 1.207 0.847 0.886 0.837 0.675 1.207 0.846 0.887 0.848 1.207 0.835 0.671 0.837 0.857 0.913 1.207 0.664 0.910 0.762 0.904 Phase annealing cycle: 4 Beta = 0.04530 Ralpha 0.030 0.156 0.125 0.173 0.369 0.030 0.153 0.132 0.153 0.030 0.141 0.380 0.177 0.137 0.105 0.030 0.420 0.119 0.244 0.124 Nqual -1.000-1.000-1.000 1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000-0.963 1.000-1.000-1.000-1.000 0.744-1.000-1.000-1.000 Mabs 1.207 0.848 0.895 0.834 0.685 1.207 0.849 0.893 0.849 1.207 0.875 0.675 0.837 0.885 0.914 1.207 0.656 0.903 0.759 0.906 Phase annealing cycle: 5 Beta = 0.05033 Ralpha 0.030 0.158 0.131 0.174 0.372 0.030 0.156 0.133 0.153 0.030 0.130 0.378 0.174 0.127 0.110 0.030 0.405 0.107 0.239 0.124 Nqual -1.000-1.000-1.000 1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000 1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000 Mabs 1.207 0.847 0.891 0.835 0.685 1.207 0.848 0.891 0.849 1.207 0.887 0.676 0.837 0.891 0.912 1.207 0.661 0.915 0.762 0.905 Phase annealing cycle: 6 Beta = 0.05592 Ralpha 0.030 0.155 0.132 0.173 0.377 0.030 0.155 0.131 0.153 0.030 0.130 0.359 0.174 0.126 0.109 0.030 0.364 0.109 0.245 0.120 Nqual -1.000-1.000-1.000 1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000 1.000-1.000-1.000-1.000-0.308-1.000-1.000-1.000 Mabs 1.207 0.848 0.890 0.836 0.683 1.207 0.848 0.892 0.849 1.207 0.890 0.686 0.837 0.890 0.911 1.207 0.676 0.912 0.760 0.907 Phase annealing cycle: 7 Beta = 0.06213 Ralpha 0.030 0.153 0.130 0.177 0.375 0.030 0.153 0.131 0.153 0.030 0.129 0.363 0.174 0.130 0.109 0.030 0.349 0.109 0.239 0.118 Nqual -1.000-1.000-1.000 1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000 1.000-1.000-1.000-1.000 1.000-1.000-1.000-1.000 Mabs 1.207 0.849 0.890 0.836 0.684 1.207 0.849 0.891 0.849 1.207 0.891 0.686 0.837 0.891 0.912 1.207 0.684 0.912 0.762 0.907 Phase annealing cycle: 8 Beta = 0.06904 Ralpha 0.030 0.153 0.130 0.173 0.368 0.030 0.153 0.129 0.153 0.030 0.128 0.354 0.175 0.132 0.109 0.030 0.337 0.108 0.228 0.119 Nqual -1.000-1.000-1.000 1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000 1.000-1.000-1.000-1.000 1.000-1.000-1.000-1.000 Mabs 1.207 0.849 0.891 0.837 0.690 1.207 0.849 0.891 0.849 1.207 0.890 0.686 0.837 0.890 0.913 1.207 0.690 0.911 0.771 0.908 Phase annealing cycle: 9 Beta = 0.07671 Ralpha 0.030 0.153 0.129 0.172 0.376 0.030 0.153 0.129 0.153 0.030 0.129 0.361 0.175 0.129 0.108 0.030 0.334 0.109 0.228 0.118 Nqual -1.000-1.000-1.000 1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000 1.000-1.000-1.000-1.000 1.000-1.000-1.000-1.000 Mabs 1.207 0.849 0.890 0.837 0.685 1.207 0.849 0.891 0.849 1.207 0.892 0.687 0.837 0.892 0.911 1.207 0.693 0.911 0.771 0.909 Phase annealing cycle: 10 Beta = 0.08523 Ralpha 0.030 0.153 0.128 0.172 0.367 0.030 0.153 0.129 0.153 0.030 0.130 0.369 0.174 0.129 0.110 0.030 0.334 0.110 0.231 0.119 Nqual -1.000-1.000-1.000 1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000-1.000 1.000-1.000-1.000-1.000 1.000-1.000-1.000-1.000 Mabs 1.207 0.849 0.891 0.837 0.689 1.207 0.849 0.891 0.849 1.207 0.891 0.684 0.837 0.891 0.912 1.207 0.693 0.912 0.771 0.907 Phase refinement cycle: 1 Ralpha 0.236 1.317 1.051 1.288 2.561 0.236 1.317 1.051 1.317 0.236 1.051 2.474 1.288 1.051 1.023 0.236 2.787 1.023 1.737 1.030 Nqual -0.520 0.098-0.323 0.041-0.168-0.520 0.098-0.322 0.098-0.520-0.322-0.134 0.041-0.322 0.385-0.520-0.041 0.385-0.419 0.456 Mabs 0.701 0.459 0.493 0.462 0.361 0.701 0.459 0.493 0.459 0.701 0.493 0.368 0.462 0.493 0.497 0.701 0.353 0.497 0.420 0.496 Try Ralpha Nqual Sigma-1 M(abs) CFOM Seminvariants 1420309. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 810089. 0.221 0.062 0.741 0.802 1.245 --+++ --++- -+-+- +-+-+ ---+- +--+- +--+- -++-+ -+-+- 1953293. 0.184 -0.396 0.876 0.842 0.492 ---+- +-+++ -++++ ----- +++-+ ++-++ +-+-+ -+--- --+-+ 1377857. 0.215 0.041 0.693 0.806 1.198 --+-+ -+++- +++-- ---+- -+-+- +++-+ ++-++ --++- --+-+ 597829. 0.520 -0.222 0.678 0.625 1.050 ----+ -+++- ++--+ -+-+- -+-+- +++-- ++--- ++++- ----+ 891993. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 265661. 0.221 0.062 0.741 0.802 1.245 --+++ --++- -+-+- +-+-+ ---+- +--+- +--+- -++-+ -+-+- 1328305. 0.184 -0.398 0.876 0.842 0.489 ---+- +-+++ -++++ ----- +++-+ ++-++ +-+-+ -+--- --+-+ 350069. 0.221 0.062 0.741 0.802 1.245 --+++ --++- -+-+- +-+-+ ---+- +--+- +--+- -++-+ -+-+- 1750345. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 363117. 0.184 -0.398 0.876 0.842 0.489 ---+- +-+++ -++++ ----- +++-+ ++-++ +-+-+ -+--- --+-+ 1815585. 0.455 -0.142 0.711 0.654 1.108 ++-++ ++++- +--++ -+--+ +--+- ----- ++-++ +-+-+ +-+-+ 689317. 0.215 0.041 0.693 0.806 1.198 --+-+ -+++- +++-- ---+- -+-+- +++-+ ++-++ --++- --+-+ 1349433. 0.184 -0.398 0.876 0.842 0.489 ---+- +-+++ -++++ ----- +++-+ ++-++ +-+-+ -+--- --+-+ 455709. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 181393. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 906965. 0.541 -0.273 0.692 0.611 0.999 ++++- -+++- +--+- -+--+ ----+ --++- -+--+ -+-+- -+-+- 340521. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 1702605. 0.288 -0.565 0.811 0.730 0.436 ----+ -+++- +---- +-+-- --+++ ++-+- +-+++ --+-+ -+++- 124417. 0.170 0.419 0.946 0.848 2.045 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 622085. 0.221 0.062 0.741 0.802 1.245 --+++ --++- -+-+- +-+-+ ---+- +--+- +--+- -++-+ -+-+- 1013273. 0.215 0.041 0.693 0.806 1.198 --+-+ -+++- +++-- ---+- -+-+- +++-+ ++-++ --++- --+-+ 872061. 0.571 -0.094 0.827 0.597 1.304 ----- ++-++ +-+-+ -+--+ -+--- +--+- +---- +-+-- +---+ 166001. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 830005. 0.213 0.030 0.693 0.799 1.174 --+-+ -+++- +++-- ---+- -+-+- +++-+ ++-++ --++- --+-+ 2052873. 0.221 0.062 0.741 0.802 1.245 --+++ --++- -+-+- +-+-+ ---+- +--+- +--+- -++-+ -+-+- 1875757. 0.271 0.143 0.749 0.757 1.465 --+-- +++++ +++-+ +-+++ --+++ --+-+ +++++ +--+- -+-+- 990177. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 756581. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1685753. 0.448 0.027 0.728 0.657 1.401 --++- --++- ---+- ----+ -+++- --+++ +++++ ++-++ ----+ 40157. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 200785. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1586817. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 403405. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 170201. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1219837. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1921125. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1131949. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1542353. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 351505. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1995085. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 852921. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 15369. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1484681. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 872901. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1890781. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1642629. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 76845. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 410665. 0.184 -0.398 0.876 0.842 0.489 ---+- +-+++ -++++ ----- +++-+ ++-++ +-+-+ -+--- --+-+ 971829. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 82133. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 887205. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 1940833. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1452657. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 905613. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1387197. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1208605. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 2052569. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 982577. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1742241. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 322597. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1229893. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 139541. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 718581. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1132077. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 807901. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 1927917. 0.221 0.062 0.741 0.802 1.245 --+++ --++- -+-+- +-+-+ ---+- +--+- +--+- -++-+ -+-+- 726285. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 1379909. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 1058985. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 2063305. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 1466081. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1172861. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 772409. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 211797. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1330473. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 844345. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 22269. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 556725. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1720081. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1252601. 0.184 -0.396 0.876 0.842 0.492 ---+- +-+++ -++++ ----- +++-+ ++-++ +-+-+ -+--- --+-+ 1288373. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 752045. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 1349797. 0.172 0.410 0.946 0.847 2.021 ---++ ---+- -+++- +++++ +---+ ---++ ---++ +++-- ----+ 875033. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1330385. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1083569. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 180861. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 228133. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 594437. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 465057. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1708153. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 825249. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 752857. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 897861. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1268097. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1810109. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1903325. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 434657. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1445781. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 183361. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 389721. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1337385. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 625029. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 183389. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1709113. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 395469. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 267477. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1738413. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 618097. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1617617. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 800217. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1707585. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1572253. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1277653. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 344325. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1496489. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 746585. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1787709. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 388825. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1492977. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1557589. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 985637. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1525341. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1975137. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1615833. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 861549. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1826241. 0.046 -0.569 0.975 1.267 0.191* ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 446637. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1134545. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1478421. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1100649. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 198845. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1786953. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1609501. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1037401. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 992701. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 394261. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1691073. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1870753. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1837833. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 241177. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 757645. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 381709. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1397105. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 574509. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 455133. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1908545. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1373193. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1589949. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 90533. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 242941. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1154117. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 775393. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1498377. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1807841. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1530229. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1200429. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1411545. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1425845. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1094277. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 282357. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 506989. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 429953. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 91813. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1359689. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 420773. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 284213. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 442677. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 100717. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 167825. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 170633. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 654297. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 346197. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 213721. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 808673. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1526053. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1338809. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1871777. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1321. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1205013. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 765197. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1844077. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 363025. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 831777. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 300401. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1566617. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1255677. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1312233. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 343273. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 2031797. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1218569. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1286521. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 488085. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1815125. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1096165. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1865169. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 636121. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1190185. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 58689. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1998393. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1193. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 268445. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1661665. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1094177. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 154773. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 53689. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 730113. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 2023385. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 400469. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 457245. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 149125. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1814097. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- 1338385. 0.046 -0.569 0.975 1.267 0.191 ----- +++++ +---+ ---++ ++--+ ---++ ----+ +---+ ++-+- CFOM Range Frequency 0.000 - 0.020 0 0.020 - 0.040 0 0.040 - 0.060 0 0.060 - 0.080 0 0.080 - 0.100 0 0.100 - 0.120 0 0.120 - 0.140 0 0.140 - 0.160 0 0.160 - 0.180 0 0.180 - 0.200 173 0.200 - 0.220 0 0.220 - 0.240 0 0.240 - 0.260 0 0.260 - 0.280 0 0.280 - 0.300 0 0.300 - 0.320 0 0.320 - 0.340 0 0.340 - 0.360 0 0.360 - 0.380 0 0.380 - 0.400 0 0.400 - 0.420 0 0.420 - 0.440 1 0.440 - 0.460 0 0.460 - 0.480 0 0.480 - 0.500 10 0.500 - 0.520 1 0.520 - 0.540 0 0.540 - 0.560 0 0.560 - 0.580 0 0.580 - 0.600 1 0.600 - 9.999 70 256. Phase sets refined - best is code 1826241. with CFOM = 0.1912 0.7 seconds CPU time Tangent expanded to 1698 out of 1698 E greater than 1.200 Highest memory used = 6923 / 9562 0.1 seconds CPU time FMAP and GRID set by program FMAP 8 3 21 GRID -1.389 -2 -2 1.389 2 2 E-Fourier for 2008src0770 in P2(1)/n Maximum = 682.31, minimum = -85.24 highest memory used = 8935 / 15825 0.2 seconds CPU time Heavy-atom assignments: x y z s.o.f. Height RH1 0.9333 0.3187 0.1941 1.0000 682.3 CL2 0.0298 0.4970 0.2138 1.0000 227.6 Peak list optimization RE = 0.101 for 31 surviving atoms and 1698 E-values Highest memory used = 1750 / 15282 0.1 seconds CPU time E-Fourier for 2008src0770 in P2(1)/n Maximum = 677.94, minimum = -89.93 highest memory used = 8951 / 15825 0.0 seconds CPU time Peak list optimization RE = 0.097 for 31 surviving atoms and 1698 E-values Highest memory used = 1766 / 15282 0.0 seconds CPU time E-Fourier for 2008src0770 in P2(1)/n Maximum = 677.86, minimum = -68.40 highest memory used = 8951 / 15825 0.0 seconds CPU time Molecule 1 scale 0.763 inches = 1.938 cm per Angstrom 33 31 38 29 3 15 42 1 40 28 24 14 20 32 27 43 25 13 CL2 54 RH1 12 36 21 22 6 46 10 2 8 34 45 23 9 37 7 35 19 17 18 16 26 39 11 30 44 Atom Peak x y z SOF Height Distances and Angles RH1 0. 0.9333 0.3187 0.1941 1.000 1.68 0 CL2 2.455 0 2 3.371 152.7 0 4 2.048 163.7 34.6 0 5 2.495 56.8 150.4 118.6 0 8 2.092 157.0 37.9 38.5 116.0 0 9 2.969 89.3 66.1 100.7 137.7 84.7 0 10 2.454 123.4 29.3 61.5 178.9 63.3 41.7 0 13 2.869 83.1 71.5 94.4 135.9 108.0 46.5 44.8 0 14 2.990 110.9 90.1 56.0 68.5 82.4 153.8 112.1 117.3 0 15 3.342 74.2 93.5 92.6 101.9 127.9 90.5 79.2 44.5 79.7 0 17 3.320 72.9 95.4 123.2 96.6 87.3 45.2 82.5 87.1 155.4 123.7 0 19 3.267 91.2 72.2 103.5 120.8 73.8 26.4 58.3 72.8 156.1 116.3 24.5 0 21 2.170 91.3 115.4 88.2 35.6 80.9 143.9 143.9 168.5 55.4 124.3 100.9 0 22 1.996 88.0 64.7 96.1 144.7 94.8 23.2 35.4 23.5 136.4 67.9 66.6 0 24 3.150 89.4 72.8 81.4 125.0 109.9 73.1 56.1 27.5 90.0 23.1 114.5 0 27 2.141 88.1 116.6 82.0 39.7 97.4 177.3 140.8 133.8 28.8 89.5 133.0 0 32 3.098 138.7 63.7 29.1 90.8 56.5 129.8 89.5 112.6 27.8 90.5 142.2 0 34 3.102 114.4 90.7 69.8 61.5 54.5 126.4 117.8 162.2 61.2 140.7 94.7 0 35 2.949 133.3 65.9 58.1 89.5 28.0 99.4 89.7 134.3 79.2 150.3 81.3 0 36 1.966 52.5 100.2 130.6 109.1 126.1 41.5 71.0 38.3 143.3 64.6 59.0 0 37 3.551 101.5 53.2 87.8 150.2 75.2 13.0 29.1 45.2 141.2 89.4 55.0 0 40 3.365 77.1 121.9 89.3 45.3 114.4 157.9 135.7 113.6 33.8 69.2 141.0 0 42 3.134 98.9 92.6 65.1 77.3 100.4 137.9 103.6 93.3 26.4 53.3 171.7 0 43 1.876 25.0 156.3 139.3 46.6 162.3 110.7 134.1 89.4 86.5 62.8 97.4 CL2 0. 1.0298 0.4970 0.2138 1.000 0.08 0 RH1 2.455 0 36 2.004 51.1 0 43 1.096 46.5 85.4 0 45 1.977 79.6 46.5 125.3 0 46 1.100 47.3 80.8 75.3 72.9 1 3 3.199 101.7 82.1 77.0 112.4 148.4 1 118. 1.2017 0.3179 0.4193 1.000 2.20 0 25 1.882 2 117. 0.9336 0.0434 0.1935 1.000 4.21 0 RH1 3.371 0 10 1.720 44.3 4 79. 0.8361 0.1809 0.2078 1.000 2.99 0 RH1 2.048 0 8 1.367 72.5 0 32 1.645 113.6 119.8 5 73. 0.8289 0.4960 0.1692 1.000 0.00 0 RH1 2.495 0 21 1.458 60.0 0 27 1.610 58.2 50.4 0 43 1.820 48.5 107.4 80.7 0 46 1.805 49.0 97.4 106.1 43.4 6 73. 1.4729 0.3696 0.2870 1.000 1.39 0 12 1.679 7 69. 1.2822 0.1746 0.1844 1.000 2.96 0 9 1.494 0 23 1.508 116.1 0 37 1.270 38.6 153.2 8 69. 0.8614 0.1841 0.1316 1.000 2.77 0 RH1 2.092 0 4 1.367 69.0 0 35 1.475 110.3 127.6 9 67. 1.1622 0.2208 0.1654 1.000 2.50 0 RH1 2.969 0 7 1.494 157.9 0 10 1.991 55.1 114.7 0 19 1.452 88.3 113.6 112.2 0 22 1.381 34.7 123.3 45.6 123.1 0 36 1.985 41.0 123.4 81.6 107.4 36.9 0 37 0.938 121.5 57.7 67.4 104.9 106.6 141.6 10 67. 1.0361 0.1440 0.2159 1.000 3.33 0 RH1 2.454 0 2 1.720 106.4 0 9 1.991 83.1 138.6 0 22 1.423 54.4 160.4 43.9 0 37 1.846 110.6 121.0 28.0 68.7 11 66. 1.0879 0.1747 -0.0488 1.000 2.42 0 16 1.422 0 30 1.314 123.1 0 39 1.294 80.9 42.6 0 44 1.013 102.7 133.9 168.6 12 64. 1.3346 0.3229 0.2775 1.000 1.81 0 6 1.679 0 23 1.535 83.6 0 25 1.478 134.6 114.8 13 62. 1.1313 0.2442 0.2951 1.000 2.59 0 RH1 2.869 0 22 1.307 37.4 0 24 1.458 87.0 121.2 0 25 1.558 148.2 127.0 110.8 0 36 1.800 42.6 42.3 116.2 105.9 14 62. 0.7002 0.3186 0.2587 1.000 1.85 0 RH1 2.990 0 27 1.516 42.8 0 32 1.465 80.2 113.0 0 40 1.881 84.1 53.9 164.3 0 42 1.405 82.6 95.4 111.5 65.2 15 61. 1.0182 0.3348 0.3857 1.000 1.98 0 RH1 3.342 0 24 1.312 70.2 0 31 1.374 121.0 120.9 0 38 1.830 114.3 68.3 54.0 16 55. 1.1206 0.1498 0.0314 1.000 2.83 0 11 1.422 0 18 1.544 120.3 0 19 1.383 116.2 123.4 0 39 1.764 46.4 165.3 70.0 0 44 1.919 31.0 89.3 147.0 77.0 17 55. 1.1148 0.3454 0.0559 1.000 1.10 0 RH1 3.320 0 19 1.400 75.6 0 26 1.386 122.6 118.6 0 39 1.597 113.1 75.1 43.5 0 45 1.921 59.2 99.1 142.0 171.7 18 55. 1.1372 0.0300 0.0581 1.000 4.00 0 16 1.544 19 55. 1.1314 0.2378 0.0822 1.000 2.15 0 RH1 3.267 0 9 1.452 65.3 0 16 1.383 125.6 120.5 0 17 1.400 79.8 117.7 121.9 0 37 1.922 81.9 28.1 92.4 145.7 0 39 1.832 108.0 172.9 64.8 57.4 156.9 20 54. 1.0562 0.0375 0.3507 1.000 4.63 0 28 1.453 21 54. 0.7762 0.3949 0.1378 1.000 0.86 0 RH1 2.170 0 5 1.458 84.5 0 27 1.313 71.0 70.8 0 34 1.514 113.5 156.7 127.8 22 54. 1.0893 0.2491 0.2217 1.000 2.37 0 RH1 1.996 0 9 1.381 122.0 0 10 1.423 90.1 90.5 0 13 1.307 119.1 118.1 98.1 0 36 1.211 70.8 99.8 161.0 91.2 0 37 1.878 132.8 28.6 66.3 104.8 127.2 23 52. 1.3773 0.2555 0.2104 1.000 2.27 0 7 1.508 0 12 1.535 107.5 24 52. 1.0540 0.2422 0.3577 1.000 2.76 0 RH1 3.150 0 13 1.458 65.4 0 15 1.312 86.7 119.3 0 28 1.397 114.8 117.2 123.4 0 38 1.815 123.7 169.0 69.5 54.8 25 51. 1.2610 0.2622 0.3288 1.000 2.49 0 1 1.882 0 12 1.478 125.6 0 13 1.558 87.1 115.4 26 48. 1.0757 0.3629 -0.0221 1.000 0.75 0 17 1.386 0 30 1.405 119.6 0 39 1.123 78.3 42.2 27 45. 0.7717 0.3968 0.2139 1.000 1.02 0 RH1 2.141 0 5 1.610 82.1 0 14 1.516 108.5 169.3 0 21 1.313 73.5 58.8 124.7 0 40 1.574 129.2 97.4 74.9 147.2 28 45. 1.0178 0.1400 0.3824 1.000 3.76 0 20 1.453 0 24 1.397 123.4 0 29 1.350 122.0 114.6 0 38 1.525 157.6 76.7 40.3 29 44. 0.9385 0.1435 0.4356 1.000 3.86 0 28 1.350 0 33 1.420 125.3 0 38 1.004 79.2 49.6 30 43. 1.0690 0.2747 -0.0747 1.000 1.44 0 11 1.314 0 26 1.405 120.1 0 39 0.948 67.6 52.8 31 42. 0.9373 0.3362 0.4398 1.000 2.10 0 15 1.374 0 33 1.377 120.7 0 38 1.510 78.6 43.9 32 42. 0.7019 0.2063 0.2292 1.000 2.81 0 RH1 3.098 0 4 1.645 37.3 0 14 1.465 72.0 107.4 33 39. 0.8951 0.2403 0.4682 1.000 3.05 0 29 1.420 0 31 1.377 115.1 0 38 1.085 44.8 74.6 34 38. 0.7080 0.3220 0.0784 1.000 1.39 0 RH1 3.102 0 21 1.514 39.9 0 35 1.558 69.7 108.8 35 37. 0.7846 0.2208 0.0626 1.000 2.28 0 RH1 2.949 0 8 1.475 41.7 0 34 1.558 80.6 113.9 36 30. 1.1011 0.3474 0.2213 1.000 1.47 0 RH1 1.966 0 CL2 2.004 76.4 0 9 1.985 97.5 147.4 0 13 1.800 99.2 137.4 74.9 0 22 1.211 73.6 149.7 43.3 46.5 0 45 1.572 107.3 65.8 86.4 149.3 127.6 37 30. 1.1758 0.1455 0.1707 1.000 3.20 0 RH1 3.551 0 7 1.270 124.0 0 9 0.938 45.5 83.7 0 10 1.846 40.3 141.3 84.7 0 19 1.922 65.7 99.1 46.9 99.4 0 22 1.878 24.3 105.4 44.8 44.9 81.9 38 27. 0.9748 0.2179 0.4427 1.000 3.19 0 15 1.830 0 24 1.815 42.2 0 28 1.525 90.2 48.5 0 29 1.004 140.8 106.5 60.4 0 31 1.510 47.4 88.8 133.4 138.8 0 33 1.085 107.5 142.0 140.4 85.6 61.5 39 27. 1.0790 0.2713 -0.0193 1.000 1.60 0 11 1.294 0 16 1.764 52.7 0 17 1.597 144.2 92.6 0 19 1.832 97.8 45.2 47.6 0 26 1.123 154.1 150.4 58.2 105.8 0 30 0.948 69.8 122.1 141.4 163.8 85.0 40 26. 0.7393 0.4633 0.2873 1.000 0.59 0 RH1 3.365 0 14 1.881 62.1 0 27 1.574 29.5 51.1 0 42 1.816 66.9 44.6 78.8 42 26. 0.7699 0.3294 0.3302 1.000 1.91 0 RH1 3.134 0 14 1.405 71.1 0 40 1.816 80.9 70.1 43 26. 0.9542 0.4590 0.2374 1.000 0.49 0 RH1 1.876 0 CL2 1.096 108.5 0 5 1.820 84.9 105.1 0 46 1.341 69.7 52.5 67.7 44 25. 1.0772 0.0997 -0.0734 1.000 3.05 0 11 1.013 0 16 1.919 46.3 45 25. 1.1442 0.4201 0.1542 1.000 0.64 0 CL2 1.977 0 17 1.921 127.7 0 36 1.572 67.7 109.4 0 46 1.960 32.5 95.3 73.1 46 25. 0.9801 0.4589 0.1628 1.000 0.32 0 RH1 1.890 0 CL2 1.100 107.4 0 5 1.805 84.9 105.8 0 43 1.341 68.6 52.2 68.9 0 45 1.960 95.9 74.6 179.0 112.0 Atom Code x y z Height Symmetry transformation 3 1 1.1043 0.4951 0.3983 0.53 1.5000-X 0.5000+Y 0.5000-Z Molecule 2 Atom Peak x y z SOF Height Distances and Angles 3 85. 0.3957 -0.0049 0.1017 1.000 Molecule 3 Atom Peak x y z SOF Height Distances and Angles 41 26. 0.5522 0.3318 0.1583 1.000 0.0 seconds CPU time +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + 2008src0770 finished at 17:27:10 Total CPU time: 2.4 secs + 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