--=====================_-1781214078==_ Content-Type: text/plain; charset="us-ascii"; format=flowed Dale Swenson Department of Chemistry University of Iowa Iowa City, Iowa 52242 phone 319-335-0291 fax 319-335-1270 email dale-swenson@uiowa.edu --=====================_-1781214078==_ Content-Type: text/plain; charset="us-ascii" Content-Disposition: attachment; filename="AC6010.HKL" # # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag for # AC6010 # data_AC6010 _shelx_title ' AC6010 structure factor listing' _shelx_refln_list_code 4 _shelx_F_calc_maximum 269.61 _exptl_crystal_F_000 1168.00 _reflns_d_resolution_high 0.8397 _shelx_F_squared_multiplier 1.000 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 72688.10 73249.09 2848.21 o 4 0 0 22540.76 23368.71 372.71 o 6 0 0 10971.85 10899.16 321.62 o 8 0 0 863.02 950.95 73.30 o 1 1 0 1086.09 972.00 12.70 o 3 1 0 58.96 92.44 5.78 o 5 1 0 32.44 22.43 11.36 o 7 1 0 73.38 72.50 25.13 o 0 2 0 4994.17 5077.82 100.05 o 2 2 0 4024.96 4456.00 57.95 o 4 2 0 5710.06 5511.15 84.69 o 6 2 0 2909.59 2798.90 60.93 o 1 3 0 809.68 759.23 15.31 o 3 3 0 851.85 822.46 13.72 o 5 3 0 513.45 548.72 16.01 o 7 3 0 39.62 50.74 31.19 o 0 4 0 23692.96 25226.35 467.61 o 2 4 0 52.50 110.83 7.80 o 4 4 0 1462.99 1396.08 22.64 o 6 4 0 1546.94 1547.30 34.02 o 1 5 0 161.89 199.54 14.84 o 3 5 0 1146.05 1259.13 20.69 o 5 5 0 411.57 421.57 18.22 o 7 5 0 36.68 81.55 35.43 o 0 6 0 6866.20 7878.19 144.45 o 2 6 0 1188.20 1290.91 45.95 o 4 6 0 407.67 429.13 16.58 o 6 6 0 694.90 708.47 28.54 o 1 7 0 1807.91 1883.71 29.77 o 3 7 0 63.75 54.69 11.27 o 5 7 0 34.33 48.23 19.06 o 7 7 0 36.16 -35.81 35.81 o 0 8 0 1133.25 1124.15 27.26 o 2 8 0 1710.21 1631.20 35.15 o 4 8 0 242.14 297.95 21.00 o 6 8 0 34.29 69.80 36.68 o 1 9 0 33.58 44.77 12.13 o 3 9 0 96.09 78.86 15.50 o 5 9 0 9.01 44.00 28.01 o 0 10 0 290.72 293.10 26.50 o 2 10 0 58.85 91.85 15.12 o 4 10 0 161.84 132.42 23.31 o 1 11 0 3.31 39.28 25.13 o 3 11 0 2.00 -44.76 44.76 o 0 12 0 778.12 676.84 46.97 o 2 12 0 71.22 71.92 21.95 o 4 12 0 11.99 -17.23 49.39 o 1 13 0 436.01 449.45 43.75 o 3 13 0 9.48 56.90 36.00 o 0 14 0 640.15 569.56 72.11 o 2 14 0 1.61 82.89 41.68 o 2 0 1 444.27 477.01 55.93 o 4 0 1 1290.38 1260.00 29.41 o 6 0 1 81.43 116.03 19.35 o 8 0 1 140.13 182.10 46.99 o 1 1 1 6670.64 6889.74 68.77 o 3 1 1 773.49 692.42 8.24 o 5 1 1 105.38 137.59 17.96 o 7 1 1 75.07 96.96 18.76 o 0 2 1 437.24 485.83 29.64 o 2 2 1 3172.43 2817.48 27.44 o 4 2 1 1444.54 1409.23 16.21 o 6 2 1 258.94 232.59 13.61 o 1 3 1 2919.89 3345.30 30.18 o 3 3 1 2999.09 3555.04 31.70 o 5 3 1 56.47 54.63 9.20 o 7 3 1 39.89 76.14 19.91 o 0 4 1 368.10 437.24 34.94 o 2 4 1 5340.99 5889.12 54.64 o 4 4 1 174.96 203.91 7.32 o 6 4 1 71.33 113.06 11.53 o 1 5 1 1148.78 1250.65 17.31 o 3 5 1 5503.03 5484.72 53.32 o 5 5 1 44.55 43.32 11.50 o 7 5 1 20.08 -28.10 83.76 o 0 6 1 5961.89 5475.25 108.90 o 2 6 1 5299.99 5553.04 51.37 o 4 6 1 667.66 590.27 12.84 o 6 6 1 68.82 106.71 16.37 o 1 7 1 497.80 453.88 10.22 o 3 7 1 126.78 129.45 8.95 o 5 7 1 52.75 54.27 14.25 o 7 7 1 69.12 98.40 40.25 o 0 8 1 263.64 293.13 15.03 o 2 8 1 742.24 845.41 26.25 o 4 8 1 261.95 228.64 13.54 o 6 8 1 1.62 75.63 46.79 o 1 9 1 153.34 172.25 8.78 o 3 9 1 700.65 601.80 28.99 o 5 9 1 73.99 91.42 21.84 o 0 10 1 450.47 389.44 16.39 o 2 10 1 372.02 344.90 12.30 o 4 10 1 99.70 84.01 16.39 o 1 11 1 358.86 347.90 28.47 o 3 11 1 136.28 117.33 17.66 o 5 11 1 140.44 141.71 33.41 o 0 12 1 3.49 -29.17 29.17 o 2 12 1 268.87 227.08 18.53 o 4 12 1 122.81 128.16 36.30 o 1 13 1 47.44 102.25 32.64 o 3 13 1 99.00 123.41 33.69 o 0 14 1 668.77 628.12 55.34 o 2 14 1 192.47 170.02 30.16 o 4 0 2 26267.15 28285.68 332.93 o 6 0 2 5098.63 5281.50 92.42 o 8 0 2 1868.84 1835.13 72.10 o 1 1 2 9858.08 10175.33 98.49 o 3 1 2 3501.69 3031.42 28.22 o 5 1 2 506.85 553.37 10.60 o 7 1 2 77.70 80.59 28.40 o 0 2 2 14594.28 14885.82 220.20 o 2 2 2 10240.04 9975.71 83.42 o 4 2 2 2765.95 2925.53 27.04 o 6 2 2 176.02 197.11 12.29 o 1 3 2 14477.25 15201.63 138.14 o 3 3 2 430.35 479.37 56.57 o 5 3 2 45.75 49.57 11.99 o 7 3 2 47.33 72.88 28.02 o 0 4 2 1014.22 954.50 27.05 o 2 4 2 4506.81 4319.85 41.23 o 4 4 2 600.50 565.60 9.96 o 6 4 2 50.74 75.30 13.16 o 1 5 2 3003.27 3225.16 33.03 o 3 5 2 598.11 611.12 11.19 o 5 5 2 985.12 895.86 20.27 o 7 5 2 75.86 68.24 29.05 o 0 6 2 932.35 901.12 29.49 o 2 6 2 3462.97 3640.00 35.04 o 4 6 2 741.47 781.23 16.32 o 6 6 2 159.31 143.02 15.63 o 1 7 2 843.60 822.19 16.66 o 3 7 2 596.56 594.87 12.51 o 5 7 2 1007.75 1072.87 38.75 o 7 7 2 34.85 70.48 25.73 o 0 8 2 289.58 259.91 13.20 o 2 8 2 304.98 332.93 20.53 o 4 8 2 230.17 213.74 16.57 o 6 8 2 89.55 94.55 40.63 o 1 9 2 777.46 757.42 20.41 o 3 9 2 740.51 697.93 14.36 o 5 9 2 11.84 65.40 63.35 o 0 10 2 58.80 68.75 12.52 o 2 10 2 694.76 705.85 16.18 o 4 10 2 179.84 169.51 22.44 o 1 11 2 279.11 254.83 13.43 o 3 11 2 3.39 40.24 19.84 o 5 11 2 42.26 -1.05 88.48 o 0 12 2 1.24 -25.22 25.22 o 2 12 2 445.82 408.22 21.20 o 4 12 2 23.82 26.99 96.90 o 1 13 2 110.97 129.80 25.65 o 3 13 2 72.00 97.95 32.83 o 0 14 2 53.49 82.80 50.06 o 2 14 2 32.18 75.20 35.91 o 2 0 3 12596.74 13568.17 153.18 o 4 0 3 104.42 111.72 10.21 o 6 0 3 349.19 305.26 18.40 o 8 0 3 160.08 147.72 57.59 o 1 1 3 5448.98 4999.40 43.01 o 3 1 3 284.26 298.90 5.27 o 5 1 3 495.31 468.92 15.67 o 7 1 3 6.43 64.44 26.70 o 0 2 3 2420.46 2783.80 39.61 o 2 2 3 509.80 630.47 7.68 o 4 2 3 638.65 589.00 9.06 o 6 2 3 254.98 273.27 13.20 o 1 3 3 4857.10 4556.10 47.55 o 3 3 3 272.80 245.69 5.61 o 5 3 3 747.58 720.20 36.76 o 7 3 3 0.71 -19.54 19.54 o 0 4 3 4475.74 4454.03 56.53 o 2 4 3 568.74 620.20 87.72 o 4 4 3 624.63 678.45 105.79 o 6 4 3 917.93 933.57 25.86 o 1 5 3 11177.17 12504.39 115.52 o 3 5 3 6939.69 7199.95 65.26 o 5 5 3 237.54 221.30 11.80 o 7 5 3 216.31 243.26 21.75 o 0 6 3 226.13 181.85 6.65 o 2 6 3 370.65 363.22 12.82 o 4 6 3 673.68 710.49 14.12 o 6 6 3 196.63 134.13 17.05 o 1 7 3 210.10 233.16 18.07 o 3 7 3 2108.62 2254.27 27.13 o 5 7 3 134.80 127.01 14.56 o 7 7 3 121.20 131.89 28.19 o 0 8 3 184.10 154.61 8.86 o 2 8 3 180.54 161.53 8.17 o 4 8 3 542.80 508.80 15.43 o 6 8 3 186.13 198.76 24.53 o 1 9 3 452.57 451.88 10.17 o 3 9 3 371.61 384.69 12.51 o 5 9 3 83.82 114.80 22.07 o 0 10 3 12.87 138.92 13.57 o 2 10 3 96.49 117.87 12.95 o 4 10 3 61.56 71.13 18.52 o 1 11 3 1427.97 1381.62 21.14 o 3 11 3 260.73 304.54 25.67 o 5 11 3 322.94 308.06 32.17 o 0 12 3 265.72 276.18 28.42 o 2 12 3 135.91 139.12 20.74 o 4 12 3 19.34 48.54 82.89 o 1 13 3 37.39 15.37 117.99 o 3 13 3 131.04 121.91 39.38 o 0 14 3 37.22 100.99 39.38 o 2 14 3 120.08 83.72 37.55 o 2 0 4 14974.83 14750.58 179.25 o 4 0 4 5168.29 5399.72 61.46 o 6 0 4 265.15 238.24 18.79 o 1 1 4 5077.56 5220.24 44.77 o 3 1 4 1272.79 1484.07 13.42 o 5 1 4 910.09 942.26 14.17 o 7 1 4 311.80 279.02 23.40 o 0 2 4 5520.64 5924.20 78.35 o 2 2 4 3253.00 2888.63 24.20 o 4 2 4 423.23 415.79 8.52 o 6 2 4 365.52 364.33 13.69 o 1 3 4 7131.44 7787.69 68.87 o 3 3 4 1121.50 1311.15 13.76 o 5 3 4 1817.76 1799.20 23.06 o 7 3 4 96.67 103.98 19.78 o 0 4 4 229.93 214.52 7.42 o 2 4 4 3792.94 3964.71 34.44 o 4 4 4 124.44 138.15 6.67 o 6 4 4 92.68 108.92 17.72 o 1 5 4 211.46 238.14 27.42 o 3 5 4 265.55 263.01 7.71 o 5 5 4 1458.72 1489.18 21.77 o 7 5 4 20.07 -3.24 68.74 o 0 6 4 767.61 548.17 12.85 o 2 6 4 378.43 450.98 8.59 o 4 6 4 1400.92 1269.87 18.26 o 6 6 4 162.61 133.46 18.92 o 1 7 4 1084.12 1192.06 13.93 o 3 7 4 240.55 200.90 20.33 o 5 7 4 204.64 216.57 32.84 o 7 7 4 8.63 -5.53 85.20 o 0 8 4 15.27 33.98 7.89 o 2 8 4 162.68 134.97 9.49 o 4 8 4 124.17 97.78 15.41 o 6 8 4 22.23 8.04 72.25 o 1 9 4 117.85 102.42 8.13 o 3 9 4 541.80 518.33 14.41 o 5 9 4 237.23 213.40 21.72 o 0 10 4 2357.82 2704.65 41.68 o 2 10 4 448.32 393.46 12.07 o 4 10 4 569.60 609.05 20.10 o 1 11 4 71.62 115.11 17.09 o 3 11 4 18.38 -5.13 59.30 o 5 11 4 99.86 132.67 37.66 o 0 12 4 60.42 92.14 24.36 o 2 12 4 548.70 599.84 24.94 o 4 12 4 211.26 176.84 67.80 o 1 13 4 59.55 125.62 24.47 o 3 13 4 55.64 68.55 37.45 o 0 14 4 872.22 828.63 55.17 o 2 14 4 150.79 155.54 37.27 o 2 0 5 3622.00 3624.67 42.10 o 4 0 5 458.18 390.37 11.48 o 6 0 5 873.65 847.69 23.74 o 1 1 5 2166.15 2083.41 17.36 o 3 1 5 4556.69 4380.82 34.56 o 5 1 5 383.53 383.70 9.88 o 7 1 5 250.80 237.25 20.62 o 0 2 5 9619.67 8771.11 115.43 o 2 2 5 11379.16 11954.73 256.92 o 4 2 5 1530.44 1417.62 16.31 o 6 2 5 66.24 94.41 11.17 o 1 3 5 351.87 372.56 5.74 o 3 3 5 724.82 621.08 8.11 o 5 3 5 702.76 585.31 17.94 o 7 3 5 6.64 44.45 20.53 o 0 4 5 1421.43 1522.85 23.21 o 2 4 5 2223.73 2213.62 19.68 o 4 4 5 520.40 505.99 8.88 o 6 4 5 74.38 62.22 14.15 o 1 5 5 4061.22 4177.92 38.99 o 3 5 5 447.40 413.11 8.25 o 5 5 5 1700.94 1767.53 35.69 o 7 5 5 53.21 81.75 30.66 o 0 6 5 81.02 117.30 6.07 o 2 6 5 2287.13 2249.09 23.58 o 4 6 5 422.52 459.83 23.04 o 6 6 5 47.18 44.14 19.77 o 1 7 5 2365.24 2541.73 168.02 o 3 7 5 22.97 4.65 32.40 o 5 7 5 492.54 451.57 29.64 o 0 8 5 30.24 32.93 7.99 o 2 8 5 339.16 286.31 25.20 o 4 8 5 437.53 467.53 63.27 o 6 8 5 39.26 63.75 24.07 o 1 9 5 20.11 52.28 15.31 o 3 9 5 497.07 458.67 14.27 o 5 9 5 27.32 36.64 19.41 o 0 10 5 1458.15 1404.82 30.94 o 2 10 5 387.98 446.89 13.80 o 4 10 5 150.55 149.79 17.49 o 1 11 5 855.16 944.89 20.63 o 3 11 5 2841.44 2847.42 50.59 o 5 11 5 461.70 464.10 32.49 o 0 12 5 133.84 138.09 25.52 o 2 12 5 179.26 214.11 21.76 o 4 12 5 362.62 317.11 44.61 o 1 13 5 41.55 76.67 28.15 o 3 13 5 52.98 129.92 38.05 o 0 14 5 73.96 124.01 46.12 o 2 14 5 58.81 -38.39 38.39 o 0 0 6 13133.13 9284.62 201.44 o 2 0 6 2129.89 1577.69 24.10 o 4 0 6 1560.27 1564.31 25.08 o 6 0 6 147.80 173.93 15.79 o 1 1 6 4216.53 4288.09 98.37 o 3 1 6 101.02 93.19 4.49 o 5 1 6 36.52 80.09 9.37 o 7 1 6 84.25 88.56 19.11 o 0 2 6 12678.30 13468.99 169.82 o 2 2 6 929.38 834.21 18.20 o 4 2 6 223.54 231.75 9.59 o 6 2 6 279.82 253.31 17.97 o 1 3 6 2217.34 2368.60 21.87 o 3 3 6 6462.88 6856.03 53.11 o 5 3 6 246.59 262.05 10.23 o 7 3 6 83.11 137.16 21.47 o 0 4 6 879.82 766.21 17.90 o 2 4 6 400.42 427.03 12.25 o 4 4 6 558.23 624.43 9.41 o 6 4 6 117.00 135.10 14.40 o 1 5 6 179.41 216.30 10.79 o 3 5 6 685.71 634.78 15.88 o 5 5 6 16.44 36.66 12.10 o 7 5 6 155.96 162.75 28.02 o 0 6 6 1819.35 1703.15 35.81 o 2 6 6 1644.92 1734.30 51.54 o 4 6 6 125.37 134.19 8.87 o 6 6 6 132.92 127.17 17.79 o 1 7 6 815.57 734.50 14.54 o 3 7 6 914.99 827.15 20.42 o 5 7 6 222.12 258.36 15.88 o 0 8 6 43.35 69.42 10.49 o 2 8 6 264.99 270.44 13.87 o 4 8 6 655.18 638.24 17.01 o 6 8 6 148.00 154.08 35.15 o 1 9 6 789.36 812.41 14.53 o 3 9 6 2722.64 2649.44 67.41 o 5 9 6 420.53 386.11 26.35 o 0 10 6 2066.87 2165.21 56.36 o 2 10 6 886.50 903.99 103.40 o 4 10 6 394.22 367.49 21.25 o 1 11 6 630.88 672.98 21.26 o 3 11 6 42.56 66.90 21.07 o 5 11 6 217.45 204.76 60.87 o 0 12 6 836.74 936.12 37.53 o 2 12 6 221.81 262.86 22.00 o 4 12 6 99.81 117.66 33.99 o 1 13 6 391.26 359.34 27.14 o 3 13 6 285.74 230.14 30.34 o 0 14 6 126.58 126.34 47.57 o 2 14 6 468.75 434.94 37.47 o 2 0 7 49.21 62.40 5.10 o 4 0 7 128.99 149.00 8.48 o 6 0 7 218.53 177.62 15.99 o 1 1 7 4870.53 4834.46 542.59 o 3 1 7 1186.26 1241.32 11.74 o 5 1 7 366.77 359.22 14.22 o 7 1 7 64.46 77.16 22.93 o 0 2 7 45433.81 42641.33 934.25 o 2 2 7 191.87 203.67 6.36 o 4 2 7 40.24 43.58 6.11 o 6 2 7 845.91 876.41 21.37 o 1 3 7 5699.50 5202.21 56.75 o 3 3 7 285.36 278.61 6.23 o 5 3 7 568.06 513.72 22.61 o 7 3 7 21.81 71.04 24.30 o 0 4 7 2131.65 1972.10 30.70 o 2 4 7 651.48 594.37 7.59 o 4 4 7 495.52 548.33 9.76 o 6 4 7 384.92 378.87 15.78 o 1 5 7 410.98 444.99 52.28 o 3 5 7 1333.81 1411.94 15.25 o 5 5 7 164.52 173.71 23.07 o 7 5 7 20.75 16.70 60.70 o 0 6 7 117.38 196.68 22.83 o 2 6 7 401.40 437.89 20.97 o 4 6 7 474.13 434.80 16.53 o 6 6 7 269.03 229.15 18.90 o 1 7 7 1601.86 1628.06 18.62 o 3 7 7 402.89 361.77 12.19 o 5 7 7 283.33 255.94 14.70 o 0 8 7 1728.73 1822.73 29.34 o 2 8 7 159.28 168.23 8.35 o 4 8 7 52.05 60.09 14.49 o 6 8 7 17.35 17.52 92.47 o 1 9 7 921.89 905.14 20.65 o 3 9 7 1263.84 1220.53 21.45 o 5 9 7 210.76 135.13 24.95 o 0 10 7 1062.56 1017.27 25.78 o 2 10 7 1928.54 1883.76 61.69 o 4 10 7 1407.54 1481.04 34.33 o 1 11 7 1789.47 1859.34 42.12 o 3 11 7 970.57 960.92 43.71 o 5 11 7 523.77 507.36 37.03 o 0 12 7 2893.12 3107.75 83.38 o 2 12 7 914.42 932.53 27.67 o 4 12 7 158.42 135.85 31.54 o 1 13 7 6.24 84.03 25.52 o 3 13 7 33.56 41.66 63.20 o 0 14 7 18.20 50.06 41.59 o 2 14 7 115.31 140.30 70.29 o 0 0 8 34.76 33.22 5.30 o 2 0 8 5865.23 5688.27 58.08 o 4 0 8 1479.79 1406.05 20.81 o 6 0 8 334.09 329.04 18.60 o 1 1 8 1927.09 2047.91 27.36 o 3 1 8 657.17 693.94 8.16 o 5 1 8 802.72 834.48 54.33 o 7 1 8 26.30 -17.25 59.59 o 0 2 8 3179.10 3218.06 88.71 o 2 2 8 202.91 239.68 4.21 o 4 2 8 141.11 143.05 6.77 o 6 2 8 28.74 35.28 20.55 o 1 3 8 8812.77 9117.30 122.97 o 3 3 8 350.07 382.12 17.16 o 5 3 8 49.95 59.23 11.20 o 7 3 8 214.98 214.67 22.19 o 0 4 8 3761.79 4019.84 77.02 o 2 4 8 494.11 460.35 7.28 o 4 4 8 54.29 54.94 7.46 o 6 4 8 644.86 666.64 19.07 o 1 5 8 1825.56 1813.70 17.10 o 3 5 8 419.54 417.36 29.55 o 5 5 8 321.29 326.84 12.51 o 7 5 8 127.08 147.50 27.76 o 0 6 8 933.05 966.07 16.24 o 2 6 8 1346.28 1578.78 18.14 o 4 6 8 538.35 464.05 11.65 o 6 6 8 113.65 133.95 20.56 o 1 7 8 2039.56 2085.46 24.27 o 3 7 8 1145.81 1143.96 35.36 o 5 7 8 46.72 17.60 99.89 o 0 8 8 1432.39 1413.38 28.73 o 2 8 8 79.74 64.33 7.80 o 4 8 8 67.34 110.21 14.16 o 6 8 8 132.58 132.83 35.00 o 1 9 8 3483.36 3688.79 48.15 o 3 9 8 687.81 648.50 18.52 o 5 9 8 358.51 322.96 24.95 o 0 10 8 528.00 500.38 18.80 o 2 10 8 311.03 326.72 19.22 o 4 10 8 74.61 90.44 24.43 o 1 11 8 353.35 365.86 29.58 o 3 11 8 555.89 523.20 24.69 o 5 11 8 255.11 271.61 33.95 o 0 12 8 167.69 226.03 37.56 o 2 12 8 259.17 268.21 33.96 o 4 12 8 23.40 65.70 34.90 o 1 13 8 177.68 171.43 24.85 o 3 13 8 181.20 176.77 36.83 o 0 14 8 27.94 89.92 54.59 o 2 0 9 3040.55 2658.64 28.57 o 4 0 9 500.19 505.14 12.15 o 6 0 9 17.29 79.33 24.74 o 1 1 9 6130.11 5860.79 59.54 o 3 1 9 975.99 833.82 9.12 o 5 1 9 103.25 117.69 8.16 o 7 1 9 7.65 12.00 51.79 o 0 2 9 432.72 346.59 8.98 o 2 2 9 678.90 578.02 18.40 o 4 2 9 525.83 582.28 9.36 o 6 2 9 281.77 267.25 15.16 o 1 3 9 5548.12 5150.59 64.49 o 3 3 9 561.29 529.11 11.34 o 5 3 9 159.36 153.27 9.44 o 7 3 9 109.28 143.40 19.58 o 0 4 9 3016.86 3111.36 38.33 o 2 4 9 8201.85 8628.62 84.50 o 4 4 9 142.78 141.86 6.48 o 6 4 9 65.66 88.78 15.76 o 1 5 9 2901.68 2798.05 44.85 o 3 5 9 32.64 47.29 8.28 o 5 5 9 1513.10 1618.38 63.65 o 7 5 9 89.24 122.21 28.98 o 0 6 9 1130.29 1232.30 23.11 o 2 6 9 446.11 483.03 9.37 o 4 6 9 175.09 180.25 21.14 o 6 6 9 0.09 26.08 18.53 o 1 7 9 193.35 190.95 11.51 o 3 7 9 1176.04 1215.38 47.39 o 5 7 9 10.21 -1.18 34.61 o 0 8 9 67.35 176.30 14.92 o 2 8 9 574.51 513.72 14.00 o 4 8 9 425.21 375.75 29.64 o 6 8 9 109.83 144.50 30.10 o 1 9 9 1817.57 1690.41 30.49 o 3 9 9 35.82 73.64 11.58 o 5 9 9 353.44 324.85 28.01 o 0 10 9 1572.41 1481.59 49.02 o 2 10 9 2721.15 2822.16 46.25 o 4 10 9 1099.04 966.00 33.38 o 1 11 9 789.51 738.47 28.17 o 3 11 9 132.34 139.02 23.00 o 0 12 9 1070.28 900.90 42.76 o 2 12 9 789.01 768.01 29.36 o 4 12 9 569.38 570.79 39.37 o 1 13 9 76.07 126.07 27.89 o 3 13 9 119.36 132.36 38.86 o 0 14 9 12.14 14.25 46.40 o 0 0 10 11196.88 12188.15 243.33 o 2 0 10 122.91 132.93 5.88 o 4 0 10 579.64 592.17 12.54 o 6 0 10 46.94 -19.35 19.35 o 1 1 10 174.38 175.52 6.65 o 3 1 10 1301.82 1313.50 14.12 o 5 1 10 165.03 149.28 8.50 o 7 1 10 120.67 134.01 22.99 o 0 2 10 68.20 224.11 22.82 o 2 2 10 2015.40 2035.22 38.54 o 4 2 10 455.19 500.26 21.02 o 6 2 10 314.43 277.16 15.99 o 1 3 10 4777.98 4661.58 69.79 o 3 3 10 87.66 95.84 5.15 o 5 3 10 2630.14 2628.59 30.68 o 7 3 10 104.99 117.51 23.58 o 0 4 10 7284.34 6885.98 129.47 o 2 4 10 2948.16 2715.86 31.12 o 4 4 10 555.52 503.75 12.51 o 6 4 10 62.33 62.03 14.80 o 1 5 10 3720.50 3527.39 52.19 o 3 5 10 318.71 274.26 8.23 o 5 5 10 143.69 143.08 9.89 o 7 5 10 120.63 134.26 31.36 o 0 6 10 353.54 366.81 12.92 o 2 6 10 68.89 78.29 8.71 o 4 6 10 421.69 421.49 15.57 o 6 6 10 45.54 82.48 21.43 o 1 7 10 511.62 570.81 13.07 o 3 7 10 2277.81 2280.76 44.68 o 5 7 10 119.17 127.63 19.42 o 0 8 10 798.04 866.34 24.52 o 2 8 10 201.37 221.97 29.86 o 4 8 10 115.64 122.21 16.97 o 6 8 10 88.39 112.93 28.90 o 1 9 10 1652.73 1771.63 23.15 o 3 9 10 140.43 183.77 23.98 o 5 9 10 636.96 637.54 31.15 o 0 10 10 105.52 80.02 22.53 o 2 10 10 930.46 869.98 21.72 o 4 10 10 60.16 69.64 24.19 o 1 11 10 256.96 279.91 28.85 o 3 11 10 639.10 684.28 36.88 o 0 12 10 291.52 274.07 33.04 o 2 12 10 51.09 28.45 108.51 o 4 12 10 12.86 39.46 48.18 o 1 13 10 37.13 52.76 43.32 o 3 13 10 16.28 -7.97 97.71 o 0 14 10 53.37 108.02 51.89 o 2 0 11 1336.33 1104.72 14.24 o 4 0 11 42.90 20.99 7.90 o 6 0 11 63.26 76.54 22.05 o 1 1 11 568.03 589.24 9.56 o 3 1 11 174.44 175.55 5.00 o 5 1 11 749.32 740.45 12.40 o 7 1 11 229.14 254.64 21.10 o 0 2 11 22053.32 22131.41 282.77 o 2 2 11 705.95 685.19 9.48 o 4 2 11 760.85 763.14 21.28 o 6 2 11 1083.28 1113.09 28.19 o 1 3 11 590.37 578.94 14.44 o 3 3 11 1200.22 1224.18 16.68 o 5 3 11 182.05 196.34 8.25 o 7 3 11 81.59 102.60 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o 3 5 22 577.46 490.43 24.87 o 5 5 22 7.07 28.06 92.51 o 0 6 22 441.16 471.60 20.24 o 2 6 22 615.11 609.06 34.76 o 4 6 22 373.79 321.08 23.64 o 1 7 22 29.21 22.24 19.06 o 3 7 22 9.46 87.88 27.70 o 0 8 22 156.62 132.90 24.08 o 2 8 22 525.94 505.23 20.53 o 4 8 22 112.15 115.99 28.22 o 1 9 22 70.97 135.69 20.56 o 3 9 22 23.36 1.49 103.49 o 0 10 22 3.79 80.00 33.50 o 2 10 22 73.71 119.36 30.79 o 1 11 22 3.75 -39.84 72.35 o 2 0 23 538.32 535.29 19.38 o 4 0 23 15.18 104.74 40.72 o 1 1 23 1908.82 1928.64 23.76 o 3 1 23 248.71 234.99 27.74 o 5 1 23 311.82 296.12 30.89 o 0 2 23 231.58 217.91 12.72 o 2 2 23 1453.60 1384.41 22.72 o 4 2 23 589.04 549.04 20.60 o 1 3 23 2676.74 2834.93 30.68 o 3 3 23 424.05 402.47 45.78 o 5 3 23 1101.23 1101.65 32.64 o 0 4 23 291.05 294.72 16.67 o 2 4 23 446.72 417.29 15.59 o 4 4 23 341.26 300.60 19.21 o 1 5 23 443.45 421.72 11.56 o 3 5 23 454.99 488.00 78.45 o 5 5 23 135.02 131.21 24.60 o 0 6 23 397.46 361.28 21.59 o 2 6 23 780.19 896.54 23.47 o 4 6 23 206.80 190.32 29.09 o 1 7 23 112.95 126.13 15.70 o 3 7 23 296.78 287.55 23.73 o 0 8 23 26.65 122.65 24.45 o 2 8 23 178.89 177.09 18.98 o 4 8 23 82.14 143.20 36.20 o 1 9 23 795.63 793.81 27.66 o 3 9 23 429.58 476.64 36.10 o 0 10 23 41.98 133.82 35.14 o 2 10 23 142.13 160.21 31.14 o 0 0 24 23.45 39.57 17.62 o 2 0 24 183.08 220.56 11.08 o 4 0 24 86.61 124.79 36.20 o 1 1 24 243.63 241.31 15.61 o 3 1 24 596.72 591.50 25.84 o 5 1 24 177.04 188.53 31.88 o 0 2 24 3453.44 3447.01 58.13 o 2 2 24 1404.87 1476.97 21.78 o 4 2 24 852.88 895.28 56.72 o 1 3 24 252.13 241.41 13.58 o 3 3 24 56.61 43.23 21.86 o 5 3 24 20.96 -16.82 75.38 o 0 4 24 1630.59 1482.90 35.20 o 2 4 24 67.81 74.02 18.87 o 4 4 24 0.71 -9.77 64.98 o 1 5 24 315.98 339.67 15.05 o 3 5 24 45.64 75.77 34.66 o 5 5 24 58.93 63.00 24.67 o 0 6 24 1734.12 1726.14 39.93 o 2 6 24 405.97 464.42 21.20 o 4 6 24 156.37 160.83 25.28 o 1 7 24 11.43 52.20 18.66 o 3 7 24 99.67 93.20 28.52 o 0 8 24 294.15 317.90 26.97 o 2 8 24 66.40 86.74 26.82 o 1 9 24 5.79 89.68 26.17 o 3 9 24 4.91 21.86 91.02 o 0 10 24 145.36 152.44 40.06 o 2 0 25 704.79 704.26 15.91 o 4 0 25 0.21 -30.81 30.81 o 1 1 25 1196.54 1254.66 67.22 o 3 1 25 1699.24 1822.58 30.92 o 5 1 25 195.82 187.71 31.59 o 0 2 25 258.14 282.17 16.38 o 2 2 25 63.47 115.55 14.16 o 4 2 25 170.59 163.56 23.39 o 1 3 25 2289.75 2326.88 28.41 o 3 3 25 4101.80 4381.55 84.01 o 5 3 25 1122.55 1224.21 40.90 o 0 4 25 1453.58 1546.08 30.44 o 2 4 25 91.55 103.88 40.54 o 4 4 25 42.37 67.00 19.92 o 1 5 25 988.39 968.65 23.45 o 3 5 25 86.19 86.96 18.98 o 0 6 25 332.29 345.31 32.08 o 2 6 25 224.00 240.77 20.53 o 4 6 25 83.60 90.23 24.98 o 1 7 25 169.48 164.63 18.99 o 3 7 25 62.27 93.86 32.69 o 0 8 25 289.12 311.05 27.74 o 2 8 25 285.25 253.27 28.95 o 1 9 25 144.22 145.60 28.68 o 0 10 25 42.24 51.12 44.48 o 0 0 26 0.81 -20.12 20.12 o 2 0 26 94.67 125.95 18.20 o 4 0 26 24.58 95.89 37.06 o 1 1 26 1192.69 1232.95 20.94 o 3 1 26 192.12 182.86 20.23 o 5 1 26 196.91 216.74 31.88 o 0 2 26 429.90 355.73 19.47 o 2 2 26 587.51 537.25 18.67 o 4 2 26 148.28 153.84 25.70 o 1 3 26 587.73 573.10 18.21 o 3 3 26 6.59 0.03 48.18 o 5 3 26 54.64 78.91 33.32 o 0 4 26 71.51 89.74 24.55 o 2 4 26 26.86 107.56 24.36 o 4 4 26 274.14 222.38 26.72 o 1 5 26 91.38 115.51 21.59 o 3 5 26 29.89 91.94 24.27 o 0 6 26 4.89 59.49 25.41 o 2 6 26 179.82 196.43 24.39 o 4 6 26 107.59 119.41 27.62 o 1 7 26 18.45 52.22 31.96 o 3 7 26 16.22 -14.69 57.52 o 0 8 26 8.66 79.81 29.07 o 2 8 26 62.43 100.46 30.36 o 1 9 26 40.75 86.26 35.92 o 2 0 27 1.01 -17.81 17.81 o 1 1 27 339.07 367.54 15.35 o 3 1 27 689.77 774.94 28.58 o 0 2 27 40.44 82.80 26.09 o 2 2 27 77.91 78.96 23.25 o 4 2 27 52.54 10.85 113.37 o 1 3 27 1901.08 1643.60 34.37 o 3 3 27 2072.61 2074.23 44.81 o 0 4 27 1.28 -26.38 26.38 o 2 4 27 149.42 139.16 25.62 o 4 4 27 145.37 130.77 42.66 o 1 5 27 41.07 35.51 19.96 o 3 5 27 176.10 166.62 25.82 o 0 6 27 348.98 295.78 30.83 o 2 6 27 120.08 139.21 24.71 o 1 7 27 8.93 -30.28 30.28 o 3 7 27 49.75 -29.14 29.14 o 0 8 27 122.43 133.75 40.06 o 2 8 27 28.78 -33.72 33.72 o 0 0 28 12.26 -22.33 36.58 o 2 0 28 135.47 125.38 18.59 o 4 0 28 12.11 83.18 40.24 o 1 1 28 144.38 139.59 15.66 o 3 1 28 264.75 297.30 25.03 o 0 2 28 2.15 59.88 23.87 o 2 2 28 82.20 114.83 18.94 o 4 2 28 27.08 103.44 33.33 o 1 3 28 93.28 87.27 19.52 o 3 3 28 160.38 141.05 21.43 o 0 4 28 456.28 538.73 28.62 o 2 4 28 70.88 103.42 22.81 o 4 4 28 57.30 92.99 32.98 o 1 5 28 12.54 3.28 56.56 o 3 5 28 68.75 54.80 28.33 o 0 6 28 136.68 114.98 30.14 o 2 6 28 75.26 135.16 31.62 o 1 7 28 194.96 188.26 44.78 o 0 8 28 528.97 521.69 41.64 o 2 0 29 354.93 323.54 25.44 o 4 0 29 18.38 88.57 45.73 o 1 1 29 166.47 162.52 18.35 o 3 1 29 53.92 60.17 28.00 o 0 2 29 24.95 -32.44 32.44 o 2 2 29 72.83 133.18 20.67 o 4 2 29 103.07 110.44 31.21 o 1 3 29 498.04 455.10 21.41 o 3 3 29 8.25 -7.18 65.94 o 0 4 29 60.05 -29.65 29.65 o 2 4 29 405.67 408.60 44.47 o 1 5 29 95.05 108.87 26.61 o 3 5 29 24.78 81.29 43.85 o 0 6 29 8.15 37.06 47.46 o 2 6 29 111.11 140.91 30.59 o 1 7 29 1.00 9.09 58.19 o 0 0 30 2.34 96.17 68.06 o 2 0 30 34.22 28.21 43.52 o 1 1 30 84.13 83.37 18.53 o 3 1 30 283.12 289.12 30.60 o 0 2 30 10.51 85.01 45.63 o 2 2 30 25.51 71.67 23.37 o 1 3 30 63.65 74.74 23.96 o 3 3 30 187.10 193.23 31.63 o 0 4 30 56.54 -30.91 30.91 o 2 4 30 237.61 279.49 32.84 o 1 5 30 204.89 189.78 28.67 o 0 6 30 104.84 7.99 53.15 o 2 6 30 26.24 46.69 36.93 o 1 7 30 58.46 30.23 28.48 o 2 0 31 29.24 -48.43 48.43 o 1 1 31 68.70 124.59 26.67 o 3 1 31 175.53 195.49 36.53 o 0 2 31 105.49 119.79 31.87 o 2 2 31 90.39 132.72 25.18 o 1 3 31 61.13 86.00 27.77 o 3 3 31 64.86 104.75 44.96 o 0 4 31 857.93 817.24 52.86 o 2 4 31 118.57 130.96 31.49 o 1 5 31 26.35 29.65 66.62 o 0 6 31 378.92 452.83 42.68 o 0 0 32 2.80 121.59 56.12 o 2 0 32 31.17 -48.91 52.95 o 1 1 32 61.46 28.02 34.95 o 0 2 32 11.09 -36.87 36.87 o 2 2 32 184.48 163.57 28.84 o 1 3 32 8.77 58.50 27.03 o 0 4 32 29.63 59.98 36.87 o 1 5 32 291.09 241.40 31.17 o 2 0 33 183.35 161.79 50.37 o 1 1 33 314.98 360.22 28.66 o 1 3 33 38.55 81.02 26.65 o 0 4 33 11.90 26.86 23.20 o 0 0 34 47.47 120.64 33.41 o 1 1 34 18.75 103.61 55.45 o # # # End structure factor listing for AC6010. # # --=====================_-1781214078==_--