+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXS-97 - CRYSTAL STRUCTURE SOLUTION - WinGX VERSION + + Copyright(C) George M. Sheldrick 1986-97 Release 97-2 + + s92 started at 15:55:00 on 08 Aug 2000 + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TITL s92 in P2(1)/c CELL 0.71073 7.1328 20.6990 7.1455 90.000 116.173 90.000 ZERR 2.00 0.0014 0.0041 0.0014 0.000 0.030 0.000 LATT 1 SYMM -X, 0.5+Y, 0.5-Z SFAC C H N O CL PD UNIT 24 32 8 12 4 2 V = 946.80 At vol = 18.9 F(000) = 488.0 mu = 1.30 mm-1 Max single Patterson vector = 284.0 cell wt = 979.18 rho = 1.717 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 0.00 -7.00 0.00 1.92 0.48 Observed but should be systematically absent 0.00 0.00 1.00 1.59 0.37 Observed but should be systematically absent 10271 Reflections read, of which 180 rejected Maximum h, k, l and 2-Theta = 9. 26. 9. 55.02 2165 Unique reflections, of which 1926 observed R(int) = 0.0483 R(sigma) = 0.0323 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) 7. 11. 39. 64. 75. 88. 71. 93. 108. 165. 238. 331. 469. N(measured) 7. 11. 40. 65. 76. 88. 72. 93. 113. 173. 247. 365. 580. N(theory) 9. 11. 40. 66. 76. 88. 72. 93. 113. 173. 247. 365. 580. 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 = 4996 / 10825 Observed E .GT. 1.200 1.300 1.400 1.500 1.600 1.700 1.800 1.900 2.000 2.100 Number 718 592 463 347 253 173 109 77 51 34 Centric Acentric 0kl h0l hk0 Rest Mean Abs(E*E-1) 0.968 0.736 0.741 0.759 0.880 0.687 0.7 seconds CPU time SUMMARY OF PARAMETERS FOR s92 in P2(1)/c 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 11 nf 16 s+ 0.800 s- 0.200 wr 0.200 PHAN steps 10 cool 0.900 Boltz 0.400 ns 136 mtpr 40 mnqr 10 TREF np 256. nE 212 kapscal 0.900 ntan 2 wn -0.950 FMAP code 8 PLAN npeaks -21 del1 0.500 del2 1.500 MORE verbosity 1 TIME t 9999999. 136 Reflections and 1242. unique TPR for phase annealing 212 Phases refined using 3950. unique TPR 316 Reflections and 7908. unique TPR for R(alpha) 0.5 seconds CPU time 913 Unique negative quartets found, 913 used for phase refinement 0.3 seconds CPU time Highest memory used to derive phase relations = 3990 / 19559 ONE-PHASE SEMINVARIANTS h k l E P+ Phi 2 0 0 1.776 0.84 4 0 0 1.819 1.00 4 6 2 2.290 0.52 0 6 2 1.912 0.81 -2 4 2 1.856 0.67 2 12 0 1.987 0.33 4 14 0 1.978 0.36 0 8 2 1.788 0.40 2 6 2 1.872 0.54 -2 8 2 1.587 0.73 0 2 4 1.773 0.95 2 8 2 1.682 0.81 -4 8 2 1.606 0.37 -2 6 6 1.843 0.41 0 4 2 1.737 0.36 2 2 0 1.455 0.51 2 2 4 1.750 0.40 2 4 2 1.525 0.39 4 8 2 1.790 0.44 2 10 2 1.556 0.60 2 16 0 1.768 0.48 0 16 4 1.989 0.83 -2 16 4 1.749 0.65 -2 14 4 1.551 0.67 0 14 4 1.567 0.39 6 2 0 1.760 0.67 4 12 0 1.537 0.38 -6 10 2 1.681 0.59 -4 4 4 1.475 0.38 0 14 0 1.276 1.00 0 12 0 1.370 1.00 -2 10 2 1.362 0.40 -2 4 4 1.434 0.39 2 0 4 1.363 0.99 2 14 0 1.406 0.39 4 2 0 1.216 0.45 -4 4 2 1.246 0.69 -4 6 2 1.214 0.44 -6 8 2 1.394 0.70 -2 8 6 1.424 0.40 -6 4 4 1.601 0.38 -4 6 6 1.422 0.54 Expected value of Sigma-1 = 0.814 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 0 1.776 0 sigma-1 = 0.839 4 0 0 1.819 0 sigma-1 = 1.000 -1 4 2 2.153 random phase 1 11 0 2.321 random phase 0 1 2 2.415 random phase 0 6 2 1.912 0 sigma-1 = 0.812 0 3 1 1.775 random phase -3 4 3 1.892 random phase 0 2 4 1.773 0 sigma-1 = 0.955 2 8 2 1.682 0 sigma-1 = 0.814 -1 6 1 1.976 random phase -1 4 1 1.665 random phase -1 3 1 1.636 random phase -2 2 1 1.685 random phase 2 4 2 1.525 random phase 1 2 4 1.727 random phase 0 16 4 1.989 0 sigma-1 = 0.825 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 148 Unique NQR employed in phase annealing 128 Parallel refinements, highest memory = 5512 / 61961 0.1 seconds CPU time STRUCTURE SOLUTION for s92 in P2(1)/c Phase annealing cycle: 1 Beta = 0.04467 Ralpha 1.904 1.073 0.111 0.981 0.879 1.342 0.453 0.095 0.727 0.121 0.158 0.179 0.359 1.450 0.076 0.704 0.098 0.505 0.086 1.167 Nqual -0.210 0.166-0.928-0.653-0.282-0.297-0.065-0.888-0.176-0.939-0.951-0.890-0.724-0.117-0.966-0.411-0.979-0.198-0.964 0.034 Mabs 0.403 0.488 0.852 0.504 0.522 0.454 0.636 0.856 0.553 0.834 0.816 0.802 0.698 0.443 0.909 0.558 0.882 0.622 0.878 0.475 Phase annealing cycle: 2 Beta = 0.04964 Ralpha 1.304 1.092 0.066 0.407 0.515 0.747 0.336 0.066 0.645 0.066 0.071 0.069 0.227 1.263 0.066 0.110 0.066 0.116 0.066 0.997 Nqual -0.503-0.460-0.989-0.882-0.637-0.490-0.023-0.989-0.602-0.989-0.989-0.997-0.852-0.476-0.989-0.903-0.989-0.936-0.989-0.302 Mabs 0.457 0.485 0.943 0.671 0.621 0.548 0.691 0.943 0.578 0.943 0.936 0.937 0.781 0.462 0.943 0.841 0.943 0.856 0.943 0.501 Phase annealing cycle: 3 Beta = 0.05515 Ralpha 1.002 0.811 0.066 0.356 0.384 0.551 0.330 0.066 0.515 0.066 0.066 0.066 0.072 0.835 0.066 0.066 0.066 0.066 0.066 0.860 Nqual -0.622-0.093-0.989-0.939-0.543-0.578-0.197-0.989-0.723-0.989-0.989-0.989-0.986-0.865-0.989-0.989-0.989-0.989-0.989-0.569 Mabs 0.500 0.535 0.943 0.696 0.669 0.607 0.695 0.943 0.625 0.943 0.943 0.943 0.925 0.532 0.943 0.943 0.943 0.943 0.943 0.525 Phase annealing cycle: 4 Beta = 0.06128 Ralpha 0.743 0.578 0.066 0.359 0.229 0.487 0.325 0.066 0.171 0.066 0.066 0.066 0.066 0.114 0.066 0.066 0.066 0.066 0.066 0.778 Nqual -0.760-0.097-0.989-0.935-0.403-0.560-0.282-0.989-0.930-0.989-0.989-0.989-0.989-0.965-0.989-0.989-0.989-0.989-0.989-0.734 Mabs 0.549 0.595 0.943 0.696 0.775 0.625 0.697 0.943 0.798 0.943 0.943 0.943 0.943 0.849 0.943 0.943 0.943 0.943 0.943 0.543 Phase annealing cycle: 5 Beta = 0.06809 Ralpha 0.591 0.455 0.066 0.338 0.225 0.340 0.324 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.685 Nqual -0.828-0.098-0.989-0.949-0.341-0.666-0.293-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.710 Mabs 0.590 0.639 0.943 0.708 0.775 0.688 0.695 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.565 Phase annealing cycle: 6 Beta = 0.07566 Ralpha 0.593 0.471 0.066 0.284 0.223 0.216 0.329 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.634 Nqual -0.829-0.144-0.989-0.897-0.359-0.817-0.258-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.682 Mabs 0.590 0.634 0.943 0.735 0.780 0.779 0.698 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.580 Phase annealing cycle: 7 Beta = 0.08406 Ralpha 0.568 0.476 0.066 0.247 0.217 0.224 0.299 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.533 Nqual -0.828-0.140-0.989-0.905-0.393-0.873-0.258-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.739 Mabs 0.597 0.629 0.943 0.761 0.778 0.779 0.715 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.619 Phase annealing cycle: 8 Beta = 0.09340 Ralpha 0.560 0.464 0.066 0.220 0.206 0.212 0.277 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.243 Nqual -0.847-0.164-0.989-0.886-0.366-0.875-0.132-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.903 Mabs 0.599 0.634 0.943 0.779 0.794 0.786 0.725 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.748 Phase annealing cycle: 9 Beta = 0.10378 Ralpha 0.556 0.464 0.066 0.230 0.213 0.222 0.256 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.068 Nqual -0.895-0.164-0.989-0.873-0.431-0.876-0.013-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.988 Mabs 0.600 0.634 0.943 0.773 0.792 0.778 0.741 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.939 Phase annealing cycle: 10 Beta = 0.11531 Ralpha 0.561 0.463 0.066 0.226 0.212 0.217 0.264 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 0.066 Nqual -0.906-0.168-0.989-0.878-0.445-0.876-0.083-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989-0.989 Mabs 0.600 0.636 0.943 0.777 0.792 0.782 0.739 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 0.943 Phase refinement cycle: 1 Ralpha 2.993 3.027 0.617 1.437 1.546 1.446 1.661 0.617 0.617 0.617 0.617 0.617 0.617 0.617 0.617 0.617 0.617 0.617 0.617 0.617 Nqual -0.836-0.023-0.990-0.809-0.360-0.798-0.121-0.990-0.990-0.990-0.990-0.990-0.990-0.990-0.990-0.990-0.990-0.990-0.990-0.990 Mabs 0.346 0.340 0.569 0.445 0.433 0.444 0.424 0.569 0.569 0.569 0.569 0.569 0.569 0.569 0.569 0.569 0.569 0.569 0.569 0.569 Try Ralpha Nqual Sigma-1 M(abs) CFOM Seminvariants 1420309. 0.797 -0.911 0.181 0.538 0.798 ++++- -++++ ++++- -+-+- +++++ ----+ ---++ ---++ -+ 810089. 1.230 -0.181 0.027 0.463 1.821 --+-- -++-- +++-+ +-+-- ---++ ---+- ++-++ ++-++ ++ 1953293. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1377857. 0.442 -0.869 0.284 0.655 0.449 ++--+ +-+-+ -++-+ --++- +++-- -+-+- +-++- -+-++ +- 597829. 0.558 -0.457 0.231 0.605 0.801 -++++ ----+ -+-+- +++-- -+-+- ++-+- +---+ --++- -- 891993. 0.426 -0.890 0.284 0.662 0.429 ++--+ +-+-+ -++-+ --++- +++-- -+-+- +-++- -+-++ +- 265661. 0.477 -0.550 0.498 0.632 0.637 -+++- -++-- +-+++ ---+- -+--+ -+-++ +---- +++-+ -- 1328305. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 350069. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1750345. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 363117. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1815585. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 689317. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1349433. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 455709. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 181393. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 906965. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 340521. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1702605. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 124417. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 622085. 2.243 -0.539 -0.315 0.375 2.412 ++--- --++- ++--- ++-++ ----- ++++- -++++ -+--+ +- 1013273. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 872061. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 166001. 0.558 -0.457 0.231 0.605 0.801 -++++ ----+ -+-+- +++-- -+-+- ++-+- +---+ --++- -- 830005. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 2052873. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1875757. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 990177. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 756581. 1.213 -0.429 0.165 0.467 1.484 ++--- +---- ++--- -+++- +--++ -++-- ++--- --+-+ -- 1685753. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 40157. 0.428 -0.851 0.588 0.646 0.438 -+--+ -+-++ ++--- --+-+ --+-+ -++-+ +++-- +--+- ++ 200785. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1261365. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 60721. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1131949. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1217017. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1298669. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1904881. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1465441. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 351505. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 852921. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 76845. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 984441. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1921689. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 469885. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1995085. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1219837. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 252273. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1208605. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1878017. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 478737. 0.426 -0.890 0.284 0.662 0.429 ++--+ +-+-+ -++-+ --++- +++-- -+-+- +-++- -+-++ +- 665409. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1940833. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 905613. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 2052569. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 982577. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1125493. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1874237. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1742241. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1387197. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 719357. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 971829. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 600553. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 410665. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1816769. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 22269. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1938781. 0.557 -0.492 0.231 0.604 0.767 -++++ ----+ -+-+- +++-- -+-+- ++-+- +---+ --++- -- 1323157. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 252549. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 685525. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 18497. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1681421. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1379909. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 921393. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1706773. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1705801. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 435857. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1250977. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 27421. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 111345. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1636105. 0.557 -0.492 0.231 0.604 0.767 -++++ ----+ -+-+- +++-- -+-+- ++-+- +---+ --++- -- 1423341. 0.558 -0.457 0.231 0.605 0.801 -++++ ----+ -+-+- +++-- -+-+- ++-+- +---+ --++- -- 1802345. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1330385. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1089381. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1954897. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 49029. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 773577. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 180861. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 904305. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1282997. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 245145. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 190493. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1083569. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1516877. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1931341. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1826773. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 267477. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 937449. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1764653. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 625029. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1479597. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 156957. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1954381. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1977345. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1460981. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1868361. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1467493. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1046009. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 434657. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1383297. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1337385. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1961281. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 861549. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1420717. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 853805. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1975137. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1887409. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1525341. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1707585. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 221921. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1597213. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1048437. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1976317. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1047881. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1277653. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1499113. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 951517. 0.083 -0.997 0.769 0.914 0.083* +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1340501. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 411049. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 2055245. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1887617. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1767049. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 446637. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 226909. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1308941. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1266245. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 39769. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 198845. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1786953. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1071013. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1609501. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1756049. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 502817. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1288597. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1877237. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 800557. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 333785. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 997577. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 416933. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 757645. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1835121. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 394261. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1037401. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1725957. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1205885. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 381709. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1879221. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1908545. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1576281. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1397105. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 178949. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 267325. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1007497. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 178513. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 437537. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1126017. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 10693. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1658289. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1692945. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1294081. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1999989. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1561785. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 2057037. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1990589. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 2073201. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1056773. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1414777. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1287785. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1814993. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 312357. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1734193. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 760021. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 187989. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 459065. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1807841. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1740193. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 813869. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 33565. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 420829. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 808673. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1597953. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1070329. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1972193. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 197333. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 165125. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 34965. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 453557. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1946213. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 402589. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1766257. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1698309. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 100717. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 688705. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 898941. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1541629. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 491881. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1131265. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1815125. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1865169. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 392533. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 488085. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1077413. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1770377. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 226253. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1844077. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 634913. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 866409. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1697245. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 745625. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 32969. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1086589. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 928437. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 472257. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 819109. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 90077. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 267677. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1327089. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1719945. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1077629. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1246969. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 773865. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 1193841. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 711265. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 5965. 0.083 -0.997 0.769 0.914 0.083 +++++ +++++ +++++ +++++ +++++ +++++ +++++ +++++ ++ 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 - 0.100 221 0.100 - 0.120 0 0.120 - 0.140 0 0.140 - 0.160 0 0.160 - 0.180 0 0.180 - 0.200 0 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 3 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 5 0.440 - 0.460 2 0.460 - 0.480 0 0.480 - 0.500 0 0.500 - 0.520 0 0.520 - 0.540 0 0.540 - 0.560 1 0.560 - 0.580 0 0.580 - 0.600 0 0.600 - 9.999 24 256. Phase sets refined - best is code 951517. with CFOM = 0.0826 5.5 seconds CPU time Tangent expanded to 718 out of 718 E greater than 1.200 Highest memory used = 3008 / 4225 0.2 seconds CPU time FMAP and GRID set by program FMAP 8 1 21 GRID -2.778 24 -2 2.778 1 2 E-Fourier for s92 in P2(1)/c Maximum = 686.52, minimum = -103.77 highest memory used = 8740 / 13030 0.3 seconds CPU time Heavy-atom assignments: x y z s.o.f. Height PD1 0.0000 0.5000 0.5000 0.5000 686.5 PD2 0.0181 0.5684 0.2607 1.0000 354.8 CL3 0.2528 0.6473 0.9335 1.0000 148.9 Peak list optimization RE = 0.424 for 19 surviving atoms and 718 E-values Highest memory used = 1555 / 6462 0.2 seconds CPU time E-Fourier for s92 in P2(1)/c Maximum = 644.76, minimum = -109.48 highest memory used = 8764 / 13030 0.3 seconds CPU time Peak list optimization RE = 0.415 for 22 surviving atoms and 718 E-values Highest memory used = 1579 / 6462 0.2 seconds CPU time E-Fourier for s92 in P2(1)/c Maximum = 616.06, minimum = -84.96 highest memory used = 8764 / 13030 0.3 seconds CPU time Molecule 1 scale 0.692 inches = 1.758 cm per Angstrom PD2 20 CL3 7 20 6 5 19 2 4 9 14 1 15 17 8 18 PD2 21 13 PD1 12 21 PD2 18 15 16 9 14 2 5 17 20 7 PD2 CL3 6 13 10 19 14 4 12 1 3 16 8 PD2 11 PD2 12 13 16 Atom Peak x y z SOF Height Distances and Angles PD1 0. 0.0000 0.5000 0.5000 0.500 4.39 0 PD2 2.267 0 2 2.019 88.5 0 5 2.955 85.8 19.2 0 7 2.991 89.9 24.0 43.2 0 9 3.495 86.0 44.6 25.4 68.6 0 15 1.890 86.8 28.1 9.1 52.1 16.5 0 18 1.735 90.0 117.8 98.7 141.8 73.3 89.8 0 21 2.933 82.2 60.8 41.5 84.7 16.5 32.8 57.5 3 PD2 2.267 180.0 91.5 94.2 90.1 94.0 93.2 90.0 97.8 8 2 2.019 91.5 180.0 160.8 156.0 135.4 151.9 62.2 119.2 88.5 10 5 2.955 94.2 160.8 180.0 136.8 154.6 170.9 81.3 138.5 85.8 19.2 12 7 2.991 90.1 156.0 136.8 180.0 111.4 127.9 38.2 95.3 89.9 24.0 43.2 14 9 3.495 94.0 135.4 154.6 111.4 180.0 163.5 106.7 163.5 86.0 44.6 25.4 20 14 3.576 150.0 93.5 105.2 80.5 116.0 108.5 115.0 124.6 30.0 86.5 74.8 21 15 1.890 93.2 151.9 170.9 127.9 163.5 180.0 90.2 147.2 86.8 28.1 9.1 25 18 1.735 90.0 62.2 81.3 38.2 106.7 90.2 180.0 122.5 90.0 117.8 98.7 27 20 2.982 140.4 52.0 57.9 53.5 68.1 60.0 109.2 80.1 39.6 128.0 122.1 29 21 2.933 97.8 119.2 138.5 95.3 163.5 147.2 122.5 180.0 82.2 60.8 41.5 PD2 0. 0.0181 0.5684 0.2607 1.000 4.60 0 PD1 2.267 0 5 3.589 55.2 0 12 1.892 123.8 72.3 0 14 1.972 114.8 86.7 77.2 0 19 1.810 163.0 134.1 61.9 81.6 0 20 1.903 90.9 140.2 145.3 90.6 84.4 0 21 3.454 57.3 34.4 91.0 62.3 139.4 112.2 6 CL3 3.793 157.1 118.9 65.2 43.4 38.4 83.6 104.5 7 1 3.186 110.5 78.2 72.9 8.7 86.3 98.4 55.6 49.0 9 4 3.586 162.2 116.7 44.5 78.2 17.4 101.5 127.0 39.3 80.6 11 6 3.388 173.4 131.0 62.8 65.9 15.9 82.6 125.8 22.5 71.1 22.7 13 8 3.529 126.7 80.1 50.6 26.6 69.9 112.3 69.5 39.1 23.6 60.1 57.0 17 13 2.658 132.4 92.3 25.6 94.0 45.1 127.6 116.0 65.8 92.3 30.4 52.9 22 16 3.063 107.4 65.4 22.5 98.2 72.6 153.7 93.8 86.1 92.8 56.9 78.7 24 17 3.303 103.2 124.9 90.0 140.7 59.9 78.9 156.2 97.5 146.2 67.2 75.2 28 20 2.791 111.1 145.8 124.0 70.6 68.9 24.1 111.5 59.8 79.2 84.2 62.6 CL3 0. 0.2528 0.6473 0.9335 1.000 3.52 0 1 2.948 0 2 2.171 113.0 0 4 2.491 107.3 98.0 0 5 1.369 100.8 32.0 129.8 0 6 1.457 116.4 70.2 27.9 102.1 0 7 2.273 121.4 36.9 61.1 68.8 33.3 0 8 2.461 28.5 140.5 92.0 127.6 112.4 134.5 0 9 2.465 81.6 64.9 162.9 33.1 135.0 101.8 101.8 0 10 1.421 55.6 161.0 100.1 130.1 127.6 160.3 33.2 97.0 0 11 2.787 96.2 123.8 25.8 155.1 53.7 86.9 73.3 171.0 74.7 0 15 2.458 103.2 22.8 120.8 9.4 93.0 59.7 131.3 42.1 138.7 146.5 0 17 2.166 71.2 83.5 178.2 51.8 153.5 120.4 86.3 18.7 78.3 152.7 60.7 1 PD2 3.793 54.7 84.9 65.8 101.3 62.9 70.6 64.7 111.0 97.2 74.1 95.2 19 14 2.722 25.5 97.0 91.0 97.8 92.7 96.5 44.5 91.8 76.9 89.8 96.1 26 19 2.626 79.2 78.3 44.4 104.8 37.6 52.0 82.8 126.9 111.2 60.7 96.2 1 167. 0.4922 0.5934 1.3548 1.000 2.19 0 CL3 2.948 0 8 1.414 56.2 19 14 1.272 67.2 94.5 2 162. 0.0802 0.5745 0.7031 1.000 4.15 0 PD1 2.019 0 CL3 2.171 164.1 0 5 1.242 128.4 35.7 0 7 1.410 120.4 75.5 111.0 0 15 0.957 68.4 95.7 60.1 171.2 25 18 1.954 51.8 144.0 173.9 68.6 120.1 3 153. -0.2474 0.7073 0.8663 1.000 5.77 0 4 1.263 0 13 2.032 64.0 4 150. -0.0511 0.7065 0.9337 1.000 4.93 0 CL3 2.491 0 3 1.263 145.4 0 6 1.384 29.6 115.9 0 11 1.213 90.8 123.7 120.4 0 13 1.864 112.2 78.4 116.5 76.9 0 16 1.854 111.4 93.5 127.8 51.6 110.8 26 19 1.937 71.5 88.5 59.7 119.1 59.4 169.4 5 146. 0.2572 0.5965 0.8130 1.000 3.43 0 PD1 2.955 0 PD2 3.589 39.0 0 CL3 1.369 144.7 133.2 0 2 1.242 32.4 52.3 112.4 0 9 1.515 97.6 95.6 117.3 129.7 0 15 1.129 15.3 43.0 159.2 47.3 82.4 0 17 1.701 125.8 118.5 89.0 157.2 28.3 110.6 6 133. 0.0294 0.6559 0.8652 1.000 4.50 0 CL3 1.457 0 4 1.384 122.5 0 7 1.323 109.6 127.7 26 19 1.720 111.2 76.3 90.0 7 133. -0.0752 0.6123 0.7217 1.000 4.88 0 PD1 2.991 0 CL3 2.273 103.2 0 2 1.410 35.6 67.6 0 6 1.323 140.3 37.2 104.7 25 18 1.949 33.4 136.5 69.0 173.4 8 127. 0.4556 0.6602 1.3130 1.000 2.53 0 CL3 2.461 0 1 1.414 95.2 0 10 1.492 31.5 114.5 19 14 1.975 74.8 39.9 105.2 9 124. 0.4694 0.5700 0.8525 1.000 2.46 0 PD1 3.495 0 CL3 2.465 86.4 0 5 1.515 56.9 29.6 0 15 1.766 17.7 68.8 39.3 0 17 0.807 145.4 59.2 88.8 127.8 0 21 1.076 50.6 135.4 106.2 68.0 163.4 10 123. 0.4192 0.6798 1.0987 1.000 2.84 0 CL3 1.421 0 8 1.492 115.3 11 122. 0.0644 0.7467 1.0524 1.000 4.50 0 CL3 2.787 0 4 1.213 63.4 0 13 1.981 97.8 66.4 0 16 1.455 112.7 87.6 125.3 12 51. 0.0663 0.6582 0.3043 1.000 4.62 0 PD2 1.892 0 19 1.904 56.9 17 13 1.254 113.8 69.8 22 16 1.500 128.7 127.4 61.4 13 49. -0.0795 0.6924 1.1777 1.000 4.89 0 3 2.032 0 4 1.864 37.5 0 11 1.981 65.9 36.6 15 12 1.254 140.9 111.4 102.5 23 16 1.422 151.2 153.6 117.0 67.9 26 19 1.883 71.3 62.2 90.3 71.6 134.8 14 45. 0.2995 0.5786 0.2761 1.000 3.46 0 PD2 1.972 7 1 1.272 157.7 13 8 1.975 126.8 45.5 15 44. 0.2007 0.5534 0.7051 1.000 3.60 0 PD1 1.890 0 CL3 2.458 145.0 0 2 0.957 83.5 61.5 0 5 1.129 155.7 11.4 72.5 0 9 1.766 145.9 69.2 130.7 58.2 0 21 1.689 110.0 104.7 165.1 93.5 36.2 16 43. -0.0364 0.7942 0.8881 1.000 5.12 0 4 1.854 0 11 1.455 40.8 16 12 1.500 142.0 127.7 18 13 1.422 111.9 141.6 50.7 17 43. 0.5226 0.5966 0.9433 1.000 2.27 0 CL3 2.166 0 5 1.701 39.2 0 9 0.807 102.1 62.9 0 21 1.864 110.6 71.5 9.5 18 42. 0.1995 0.4538 0.4926 1.000 3.45 0 PD1 1.735 8 2 1.954 66.1 12 7 1.949 108.4 42.4 19 42. -0.0501 0.6197 0.0348 1.000 5.13 0 PD2 1.810 0 12 1.904 61.2 9 4 1.937 146.3 85.2 11 6 1.720 147.3 113.4 44.0 17 13 1.883 92.1 38.7 58.4 100.5 20 42. -0.0403 0.4995 0.0665 1.000 4.76 0 PD2 1.903 28 20 1.310 119.5 21 41. 0.4418 0.5354 0.7308 1.000 2.54 0 PD1 2.933 0 PD2 3.454 40.6 0 9 1.076 112.9 115.1 0 15 1.689 37.3 55.8 75.8 0 17 1.864 119.8 118.8 7.1 82.6 Atom Code x y z Height Symmetry transformation PD2 1 0.0181 0.5684 1.2607 4.12 0.0000+X 0.0000+Y 1.0000+Z PD2 2 1.0181 0.5684 1.2607 0.00 1.0000+X 0.0000+Y 1.0000+Z PD2 3 -0.0181 0.4316 0.7393 4.17 0.0000-X 1.0000-Y 1.0000-Z PD2 4 -0.0181 0.4316 -0.2607 4.65 0.0000-X 1.0000-Y 0.0000-Z PD2 5 0.0181 0.9316 0.7607 5.31 0.0000+X 1.5000-Y 0.5000+Z CL3 6 0.2528 0.6473 -0.0665 4.00 0.0000+X 0.0000+Y -1.0000+Z 1 7 0.4922 0.5934 0.3548 2.67 0.0000+X 0.0000+Y -1.0000+Z 2 8 -0.0802 0.4255 0.2969 4.62 0.0000-X 1.0000-Y 1.0000-Z 4 9 -0.0511 0.7065 -0.0663 5.40 0.0000+X 0.0000+Y -1.0000+Z 5 10 -0.2572 0.4035 0.1870 5.35 0.0000-X 1.0000-Y 1.0000-Z 6 11 0.0294 0.6559 -0.1348 4.97 0.0000+X 0.0000+Y -1.0000+Z 7 12 0.0752 0.3877 0.2783 3.89 0.0000-X 1.0000-Y 1.0000-Z 8 13 0.4556 0.6602 0.3130 3.01 0.0000+X 0.0000+Y -1.0000+Z 9 14 -0.4694 0.4300 0.1475 6.31 0.0000-X 1.0000-Y 1.0000-Z 12 15 0.0663 0.6582 1.3043 4.14 0.0000+X 0.0000+Y 1.0000+Z 12 16 0.0663 0.8418 0.8043 4.86 0.0000+X 1.5000-Y 0.5000+Z 13 17 -0.0795 0.6924 0.1777 5.37 0.0000+X 0.0000+Y -1.0000+Z 13 18 -0.0795 0.8076 0.6777 5.43 0.0000+X 1.5000-Y -0.5000+Z 14 19 0.2995 0.5786 1.2761 2.98 0.0000+X 0.0000+Y 1.0000+Z 14 20 -0.2995 0.4214 0.7239 5.31 0.0000-X 1.0000-Y 1.0000-Z 15 21 -0.2007 0.4466 0.2949 5.17 0.0000-X 1.0000-Y 1.0000-Z 16 22 -0.0364 0.7058 0.3881 5.12 0.0000+X 1.5000-Y -0.5000+Z 16 23 -0.0364 0.7058 1.3881 4.65 0.0000+X 1.5000-Y 0.5000+Z 17 24 -0.4774 0.5966 -0.0567 6.87 -1.0000+X 0.0000+Y -1.0000+Z 18 25 -0.1995 0.5462 0.5074 5.33 0.0000-X 1.0000-Y 1.0000-Z 19 26 -0.0501 0.6197 1.0348 4.65 0.0000+X 0.0000+Y 1.0000+Z 20 27 0.0403 0.5005 0.9335 4.01 0.0000-X 1.0000-Y 1.0000-Z 20 28 0.0403 0.5005 -0.0665 4.49 0.0000-X 1.0000-Y 0.0000-Z 21 29 -0.4418 0.4646 0.2692 6.23 0.0000-X 1.0000-Y 1.0000-Z 0.1 seconds CPU time +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + s92 finished at 15:55:09 Total CPU time: 8.6 secs + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++