# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_2010sl0009a _shelx_title ' 2010sl0009a' _shelx_refln_list_code 4 _shelx_F_calc_maximum 270.98 _exptl_crystal_F_000 1040.00 _reflns_d_resolution_high 0.8411 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' _cell_length_a 3.6878 _cell_length_b 48.7964 _cell_length_c 12.4014 _cell_angle_alpha 90.000 _cell_angle_beta 98.551 _cell_angle_gamma 90.000 _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 0 0 -14 392.59 386.91 289.58 o 1 1 -14 106.24 262.20 150.26 o 0 2 -14 104.82 177.51 187.36 o 1 3 -14 192.08 147.83 318.13 o 0 4 -14 1.93 280.13 188.65 o 1 5 -14 123.40 114.47 109.80 o 0 6 -14 232.96 648.45 235.49 o 1 7 -14 504.53 357.52 316.12 o 0 8 -14 121.79 200.01 175.29 o 1 9 -14 40.14 40.88 128.69 o 0 10 -14 122.63 188.48 199.07 o 1 11 -14 341.78 239.82 151.86 o 0 12 -14 149.59 106.55 161.53 o 1 13 -14 17.99 -107.79 223.62 o 0 14 -14 2.20 125.98 230.46 o 1 15 -14 109.63 441.61 316.93 o 0 16 -14 306.93 521.57 191.64 o 1 17 -14 62.21 319.34 275.90 o -1 1 -13 135.88 527.76 209.11 o 1 1 -13 9.90 -101.72 114.56 o 0 2 -13 0.05 261.52 166.00 o -1 3 -13 197.94 446.86 371.22 o 1 3 -13 702.98 554.09 179.44 o 0 4 -13 228.96 334.62 182.35 o -1 5 -13 196.31 245.88 302.45 o 1 5 -13 106.77 20.13 117.49 o 0 6 -13 254.61 500.05 199.89 o -1 7 -13 427.00 183.18 202.52 o 1 7 -13 13.10 -9.03 117.52 o 0 8 -13 14.37 137.09 240.91 o -1 9 -13 76.75 -108.94 179.59 o 1 9 -13 274.72 395.46 234.48 o 0 10 -13 17.36 -65.70 156.99 o -1 11 -13 321.26 831.74 408.63 o 1 11 -13 20.59 130.54 143.99 o 0 12 -13 24.65 22941.89 9320.42 o -1 13 -13 84.16 74.53 173.35 o 1 13 -13 231.20 9876.25 5447.30 o 0 14 -13 0.34 372.83 154.14 o -1 15 -13 105.20 91.29 157.81 o 1 15 -13 4.39 304.06 254.99 o 0 16 -13 26.42 -23.83 165.90 o -1 17 -13 67.18 403.28 211.96 o 1 17 -13 53.10 -29.76 213.97 o 0 18 -13 662.03 1057.26 231.83 o 1 19 -13 197.62 86.07 285.56 o 0 20 -13 31.91 142.54 160.47 o 1 21 -13 27.05 687.75 1503.40 o 0 22 -13 89.99 82.22 131.79 o 1 23 -13 4.59 295.21 270.27 o 0 24 -13 86.68 248.21 147.72 o 1 25 -13 232.35 1020.77 334.62 o 0 26 -13 12.91 81.09 147.18 o 0 0 -12 161.84 110.20 226.03 o -1 1 -12 0.59 18.39 116.23 o 1 1 -12 206.83 156.65 115.45 o 0 2 -12 1179.92 1376.32 226.39 o -1 3 -12 743.83 698.59 203.29 o 1 3 -12 94.87 -15.04 109.03 o 0 4 -12 796.66 804.10 211.00 o -1 5 -12 49.95 94.23 125.94 o 1 5 -12 591.00 370.43 143.24 o 0 6 -12 630.68 790.05 189.84 o -1 7 -12 29.35 0.44 234.48 o 1 7 -12 15.42 68.80 211.96 o 0 8 -12 648.15 805.45 189.98 o -1 9 -12 257.96 434.73 160.11 o 1 9 -12 192.44 153.76 181.79 o 0 10 -12 225.75 542.11 170.17 o -1 11 -12 149.07 320.89 620.58 o 1 11 -12 367.38 228.46 166.51 o 0 12 -12 93.97 230.07 325.37 o 1 13 -12 155.97 19.31 221.21 o 0 14 -12 531.06 412.05 172.02 o -1 15 -12 5.40 -20.31 152.43 o 1 15 -12 958.94 797.15 289.58 o 0 16 -12 29.26 -7.78 175.76 o -1 17 -12 60.31 156.29 174.15 o 1 17 -12 969.49 1122.12 312.10 o 0 18 -12 32.00 171.29 294.00 o -1 19 -12 275.31 102.81 160.06 o 1 19 -12 887.91 930.67 349.91 o 0 20 -12 82.37 103.59 122.31 o -1 21 -12 36.87 134.05 171.33 o 1 21 -12 10.24 115.03 254.99 o 0 22 -12 177.47 186.63 135.30 o -1 23 -12 1.94 130.55 167.61 o 1 23 -12 28.81 724.75 337.04 o 0 24 -12 24.53 179.57 112.80 o -1 25 -12 291.67 631.54 180.99 o 1 25 -12 117.51 192.25 250.16 o 0 26 -12 65.97 60.99 134.14 o 1 27 -12 227.20 82.85 272.69 o 0 28 -12 28.46 271.40 123.08 o 1 29 -12 399.56 335.43 281.54 o 0 30 -12 1.15 64.92 104.30 o 1 31 -12 399.48 230.86 279.12 o 0 32 -12 76.96 461.72 316.93 o 1 33 -12 36.73 72.39 236.49 o -1 1 -11 264.00 159.75 118.02 o 1 1 -11 206.21 76.83 118.67 o -2 2 -11 41.52 223.30 184.20 o 0 2 -11 167.00 415.32 157.62 o -1 3 -11 80.02 243.85 210.75 o 1 3 -11 592.10 385.29 136.86 o -2 4 -11 172.70 59.58 190.99 o 0 4 -11 14.74 83.64 161.92 o -1 5 -11 629.16 654.65 182.09 o 1 5 -11 626.64 641.61 155.77 o -2 6 -11 200.43 358.34 311.30 o 0 6 -11 453.62 687.01 194.46 o -1 7 -11 3.63 25.82 138.77 o 1 7 -11 364.94 378.96 119.97 o -2 8 -11 627.27 679.72 197.63 o 0 8 -11 121.26 99.18 335.43 o -1 9 -11 336.81 345.65 158.74 o 1 9 -11 81.79 168.15 120.57 o -2 10 -11 174.08 237.62 168.69 o 0 10 -11 60.72 -78.76 146.78 o -1 11 -11 339.75 352.57 147.94 o 1 11 -11 566.90 758.20 153.48 o -2 12 -11 204.09 311.06 216.57 o 0 12 -11 453.62 662.61 152.69 o -1 13 -11 95.75 173.80 132.54 o 1 13 -11 521.02 472.14 136.34 o -2 14 -11 70.64 -119.60 215.55 o 0 14 -11 804.03 852.79 280.73 o -1 15 -11 982.73 1126.47 259.82 o 1 15 -11 643.79 1043.29 279.12 o -2 16 -11 67.75 3.40 129.99 o 0 16 -11 1248.37 1515.08 190.75 o -1 17 -11 878.37 895.89 188.68 o 1 17 -11 319.28 333.02 215.58 o -2 18 -11 328.55 445.31 164.08 o 0 18 -11 238.48 323.44 136.41 o -1 19 -11 1127.03 1636.28 276.80 o 1 19 -11 1251.50 996.63 312.10 o 0 20 -11 343.01 415.96 215.17 o -1 21 -11 70.13 -36.88 300.44 o 1 21 -11 292.59 163.29 242.92 o 0 22 -11 280.56 437.27 124.03 o -1 23 -11 157.43 74.14 138.53 o 1 23 -11 1016.69 910.56 307.28 o 0 24 -11 82.08 314.36 171.74 o -1 25 -11 154.49 314.50 129.11 o 1 25 -11 661.52 724.75 298.43 o 0 26 -11 523.66 687.02 126.82 o -1 27 -11 397.06 464.44 168.58 o 1 27 -11 729.18 530.09 344.28 o 0 28 -11 53.20 38.91 108.39 o -1 29 -11 418.75 382.38 181.29 o 1 29 -11 129.77 20.11 230.86 o 0 30 -11 156.71 204.38 99.91 o -1 31 -11 466.66 511.60 161.91 o 1 31 -11 341.88 729.58 254.19 o 0 32 -11 123.87 211.60 88.08 o -1 33 -11 64.22 -89.64 196.67 o 1 33 -11 220.77 -71.59 273.49 o 0 34 -11 14.55 79.63 315.32 o 1 35 -11 206.93 208.34 281.54 o 0 36 -11 185.42 535.72 321.75 o 1 37 -11 8.33 -109.40 252.58 o 0 38 -11 257.53 211.55 361.97 o -2 0 -10 1285.22 1550.86 410.24 o 0 0 -10 1682.87 1998.90 344.28 o -1 1 -10 352.66 347.77 161.32 o 1 1 -10 230.12 250.65 117.62 o -2 2 -10 539.16 696.83 593.23 o 0 2 -10 356.87 392.65 153.19 o -1 3 -10 755.88 508.60 161.68 o 1 3 -10 2.50 -82.58 83.00 o -2 4 -10 64.13 379.91 174.03 o 0 4 -10 73.12 361.58 528.08 o -1 5 -10 614.73 404.06 157.00 o 1 5 -10 225.10 319.28 220.00 o -2 6 -10 300.87 319.63 179.83 o 0 6 -10 117.83 188.94 225.23 o -1 7 -10 378.07 434.62 132.72 o 1 7 -10 260.13 320.09 129.24 o -2 8 -10 123.21 248.92 234.88 o 0 8 -10 1171.42 1222.41 191.38 o -1 9 -10 91.65 154.94 124.68 o 1 9 -10 627.24 753.01 139.12 o -2 10 -10 474.85 648.47 206.07 o 0 10 -10 132.22 298.13 136.94 o -1 11 -10 692.48 749.69 188.58 o 1 11 -10 227.45 223.90 91.14 o -2 12 -10 793.15 882.11 291.99 o 0 12 -10 164.35 386.71 181.39 o -1 13 -10 556.91 855.44 171.59 o 1 13 -10 428.04 97.33 188.23 o -2 14 -10 393.79 298.89 160.47 o 0 14 -10 1513.80 1849.44 225.63 o -1 15 -10 530.80 635.92 191.04 o 1 15 -10 1477.48 2146.10 367.60 o -2 16 -10 364.57 222.11 199.69 o 0 16 -10 3883.15 4321.17 386.23 o -1 17 -10 381.38 242.55 124.34 o 1 17 -10 2714.63 2884.53 400.58 o -2 18 -10 301.35 232.85 177.60 o 0 18 -10 1016.09 1056.89 138.19 o -1 19 -10 1353.71 1493.19 229.37 o 1 19 -10 1980.33 2232.98 401.39 o -2 20 -10 71.76 108.90 193.68 o 0 20 -10 333.05 366.80 113.53 o -1 21 -10 546.95 711.84 170.57 o 1 21 -10 1639.15 1608.77 362.78 o -2 22 -10 861.90 1341.87 241.45 o 0 22 -10 2612.75 2717.81 271.17 o -1 23 -10 1537.47 1811.62 244.29 o 1 23 -10 460.29 358.76 156.05 o -2 24 -10 4.37 9.23 171.47 o 0 24 -10 5747.38 6382.81 512.50 o -1 25 -10 637.47 785.77 127.74 o 1 25 -10 201.90 228.45 259.01 o -2 26 -10 367.81 235.70 173.23 o 0 26 -10 2723.47 2722.36 231.58 o -1 27 -10 698.88 602.70 147.54 o 1 27 -10 236.55 366.00 293.60 o 0 28 -10 1377.23 1214.12 137.99 o -1 29 -10 80.42 168.06 150.17 o 1 29 -10 936.19 1492.94 392.54 o 0 30 -10 47.95 68.77 71.99 o -1 31 -10 470.19 223.71 353.13 o 1 31 -10 451.08 238.90 258.21 o 0 32 -10 39.68 366.80 329.80 o -1 33 -10 147.59 253.68 155.25 o 1 33 -10 423.89 751.30 259.01 o 0 34 -10 35.74 59.52 217.18 o -1 35 -10 421.54 465.83 145.29 o 1 35 -10 218.20 283.14 294.41 o 0 36 -10 73.63 216.38 305.67 o -1 37 -10 15.72 64.81 141.16 o 1 37 -10 37.76 115.03 277.51 o 0 38 -10 3.51 171.33 240.51 o 1 39 -10 49.16 368.41 299.23 o 0 40 -10 18.79 131.11 320.95 o 1 41 -10 177.60 403.80 300.84 o 0 42 -10 20.53 -41.83 312.91 o -3 1 -9 124.26 238.78 175.33 o -1 1 -9 255.12 215.81 116.08 o 1 1 -9 534.10 602.48 131.65 o -2 2 -9 628.69 653.45 211.55 o 0 2 -9 371.01 341.40 122.45 o -3 3 -9 29.91 406.88 197.64 o -1 3 -9 5.37 145.45 131.95 o 1 3 -9 1764.16 1686.93 193.67 o -2 4 -9 144.23 168.15 106.56 o 0 4 -9 22.29 126.81 121.51 o -3 5 -9 76.58 206.40 177.95 o -1 5 -9 327.56 304.29 117.10 o 1 5 -9 875.13 1096.32 145.20 o -2 6 -9 144.79 294.84 183.00 o 0 6 -9 468.26 595.12 122.86 o -1 7 -9 542.59 413.65 155.48 o 1 7 -9 78.39 181.06 103.66 o -2 8 -9 269.15 651.02 177.45 o 0 8 -9 0.47 67.84 193.86 o -1 9 -9 788.59 632.85 169.18 o 1 9 -9 534.75 411.13 118.52 o -2 10 -9 5.35 -101.83 121.09 o 0 10 -9 41.51 11.49 97.52 o -1 11 -9 220.78 194.99 170.53 o 1 11 -9 272.21 160.62 76.42 o -2 12 -9 316.11 35.55 152.23 o 0 12 -9 0.77 -9.87 97.33 o -1 13 -9 406.45 105.78 262.63 o 1 13 -9 181.14 119.05 173.75 o -2 14 -9 152.61 391.05 321.35 o 0 14 -9 2557.93 2837.37 239.20 o -1 15 -9 2054.05 1961.15 281.19 o 1 15 -9 474.60 568.70 191.44 o -2 16 -9 18.19 311.82 178.19 o 0 16 -9 12219.31 13181.90 1007.72 o -1 17 -9 3070.61 2644.95 298.88 o 1 17 -9 566.08 461.72 197.88 o -2 18 -9 1.86 23.70 129.41 o 0 18 -9 365.54 284.52 114.09 o -1 19 -9 1913.29 2043.53 271.79 o 1 19 -9 3312.48 3102.52 449.65 o -2 20 -9 266.15 318.97 171.33 o 0 20 -9 307.69 397.15 99.63 o -1 21 -9 1806.04 1952.29 241.27 o 1 21 -9 4699.53 4640.50 575.94 o -2 22 -9 36.65 138.26 373.64 o 0 22 -9 123.58 94.89 93.31 o -1 23 -9 436.76 254.23 134.33 o 1 23 -9 314.99 503.55 204.31 o -2 24 -9 337.81 593.27 265.05 o 0 24 -9 4770.40 4783.44 443.93 o -1 25 -9 111.35 220.76 127.80 o 1 25 -9 1791.54 2163.80 409.43 o -2 26 -9 33.77 452.88 195.20 o 0 26 -9 1727.48 1659.90 289.58 o -1 27 -9 265.63 133.63 104.74 o 1 27 -9 2497.58 2841.09 432.76 o -2 28 -9 287.01 219.85 166.38 o 0 28 -9 618.56 658.07 89.44 o -1 29 -9 1183.72 1283.90 274.30 o 1 29 -9 271.33 560.66 270.27 o -2 30 -9 417.41 297.72 143.41 o 0 30 -9 14.57 67.70 93.31 o -1 31 -9 453.64 596.50 157.60 o 1 31 -9 136.59 140.77 237.29 o -2 32 -9 58.49 305.15 148.98 o 0 32 -9 62.94 -17.70 259.82 o -1 33 -9 238.02 350.84 219.20 o 1 33 -9 186.70 434.37 297.62 o 0 34 -9 5.55 -16.09 172.14 o -1 35 -9 129.97 283.14 121.15 o 1 35 -9 434.77 576.74 322.56 o 0 36 -9 90.34 259.01 250.16 o -1 37 -9 123.36 163.13 315.72 o 1 37 -9 64.07 -173.75 270.27 o 0 38 -9 41.44 351.52 260.62 o -1 39 -9 53.31 -11.67 94.11 o 1 39 -9 87.07 190.64 306.47 o 0 40 -9 204.96 654.77 321.75 o -1 41 -9 133.79 248.76 135.00 o 1 41 -9 35.23 -185.81 267.86 o 0 42 -9 54.35 147.20 292.80 o 1 43 -9 231.18 -159.27 297.62 o 0 44 -9 25.00 345.08 259.82 o -2 0 -8 613.07 352.32 258.21 o 0 0 -8 151.05 29.76 72.48 o -3 1 -8 171.87 212.51 261.02 o -1 1 -8 517.61 347.88 149.77 o 1 1 -8 430.59 574.80 142.11 o -2 2 -8 643.71 614.54 158.93 o 0 2 -8 1630.02 1880.22 120.50 o -3 3 -8 573.41 601.25 249.76 o -1 3 -8 1923.02 2298.15 208.84 o 1 3 -8 1972.34 2032.50 136.91 o -2 4 -8 0.69 133.26 113.03 o 0 4 -8 27.09 -9.81 58.05 o 2 4 -8 97.68 -243.73 162.49 o -3 5 -8 407.22 434.85 211.20 o -1 5 -8 818.48 664.51 149.29 o 1 5 -8 3444.14 3627.43 225.51 o -2 6 -8 1141.50 1469.46 224.42 o 0 6 -8 1308.40 1524.64 234.26 o 2 6 -8 1325.95 942.74 225.23 o -3 7 -8 96.96 -212.83 426.32 o -1 7 -8 35.90 93.71 87.16 o 1 7 -8 470.80 444.61 78.34 o -2 8 -8 140.09 -35.10 111.90 o 0 8 -8 201.86 271.88 59.53 o 2 8 -8 59.50 20.11 158.46 o -3 9 -8 44.96 198.20 182.57 o -1 9 -8 624.46 342.97 140.99 o 1 9 -8 456.28 554.86 110.96 o -2 10 -8 808.36 855.05 187.93 o 0 10 -8 3724.05 3853.97 226.65 o 2 10 -8 241.99 344.28 143.99 o -3 11 -8 36.64 133.63 181.48 o -1 11 -8 313.57 163.62 133.40 o 1 11 -8 938.25 846.23 138.10 o -2 12 -8 704.82 857.33 184.38 o 0 12 -8 42.37 3.34 97.23 o 2 12 -8 72.68 24.94 102.96 o -3 13 -8 118.62 8.50 165.21 o -1 13 -8 201.25 34.50 143.31 o 1 13 -8 1756.67 1750.98 198.48 o -2 14 -8 32.13 115.19 123.44 o 0 14 -8 1117.42 1034.28 172.31 o 2 14 -8 942.03 865.52 222.81 o -3 15 -8 18.56 17.25 163.16 o -1 15 -8 459.26 636.60 119.29 o 1 15 -8 122.06 -63.10 94.92 o -2 16 -8 26.98 -127.20 131.77 o 0 16 -8 787.29 640.05 121.25 o 2 16 -8 176.74 278.32 135.94 o -3 17 -8 32.08 -95.68 147.63 o -1 17 -8 667.66 774.15 157.83 o 1 17 -8 1597.48 1854.08 328.19 o -2 18 -8 190.86 233.38 161.75 o 0 18 -8 108.46 159.90 69.93 o 2 18 -8 1707.52 1602.34 284.75 o -3 19 -8 152.04 397.41 164.90 o -1 19 -8 3492.58 3182.01 392.48 o 1 19 -8 4185.25 3960.97 642.70 o -2 20 -8 40.26 10.45 249.76 o 0 20 -8 1146.56 1149.95 137.75 o 2 20 -8 952.43 1129.36 209.14 o -1 21 -8 4707.02 4361.20 468.96 o 1 21 -8 4617.60 4764.61 446.70 o -2 22 -8 546.42 554.12 219.41 o 0 22 -8 4688.49 4696.27 331.73 o 2 22 -8 4622.12 5099.81 668.44 o -1 23 -8 351.79 279.71 118.21 o 1 23 -8 241.83 641.90 267.86 o -2 24 -8 686.37 786.99 199.99 o 0 24 -8 5359.62 5225.46 361.65 o 2 24 -8 3811.14 4038.02 498.72 o -1 25 -8 2305.85 1974.82 222.89 o 1 25 -8 257.21 256.60 180.99 o -2 26 -8 340.06 315.77 202.71 o 0 26 -8 2013.92 1931.32 188.63 o -1 27 -8 2677.89 2598.55 259.07 o 1 27 -8 147.78 -30.57 209.14 o -2 28 -8 92.96 -107.51 162.48 o 0 28 -8 223.38 204.10 57.60 o -1 29 -8 221.90 182.47 94.72 o 1 29 -8 84.24 -60.33 209.14 o -2 30 -8 20.57 114.91 157.87 o 0 30 -8 446.97 381.76 63.95 o -1 31 -8 109.84 330.23 180.58 o 1 31 -8 70.72 193.86 227.64 o -2 32 -8 134.72 385.19 169.17 o 0 32 -8 142.43 224.42 248.56 o -1 33 -8 387.43 267.35 203.91 o 1 33 -8 296.17 410.24 246.95 o -2 34 -8 129.67 -89.56 180.59 o 0 34 -8 951.07 551.00 235.69 o -1 35 -8 587.49 345.08 209.14 o 1 35 -8 41.75 78.83 276.71 o -2 36 -8 10.17 124.16 151.58 o 0 36 -8 104.62 216.38 209.14 o -1 37 -8 89.91 207.61 139.96 o 1 37 -8 379.87 422.30 291.99 o 0 38 -8 95.06 -168.92 222.01 o -1 39 -8 5.03 -67.23 230.05 o 1 39 -8 69.11 268.66 306.47 o 0 40 -8 8.44 172.94 229.25 o -1 41 -8 28.52 -48.08 78.44 o 1 41 -8 97.05 291.19 250.16 o 0 42 -8 640.43 598.46 272.69 o -1 43 -8 268.88 266.23 205.52 o 0 44 -8 93.10 -106.98 275.90 o -1 45 -8 188.41 224.42 269.47 o 0 46 -8 50.05 -171.33 269.47 o 0 48 -8 21.90 -49.07 263.03 o -3 1 -7 280.90 269.61 177.71 o -1 1 -7 565.83 484.64 76.97 o 1 1 -7 298.61 386.46 72.71 o 3 1 -7 58.36 -378.87 252.58 o -2 2 -7 68.81 180.13 261.43 o 0 2 -7 691.69 590.68 67.88 o 2 2 -7 822.99 867.34 142.23 o -3 3 -7 106.25 95.42 294.81 o -1 3 -7 2094.01 1981.34 137.61 o 1 3 -7 4628.73 5021.48 247.42 o 3 3 -7 63.27 119.85 271.08 o -2 4 -7 9.39 116.16 130.27 o 0 4 -7 2176.48 2145.14 127.20 o 2 4 -7 280.99 39.74 124.68 o -3 5 -7 63.54 407.04 196.80 o -1 5 -7 3818.63 3380.36 311.53 o 1 5 -7 210.15 218.64 60.36 o 3 5 -7 646.32 698.21 275.10 o -2 6 -7 213.05 199.12 142.55 o 0 6 -7 645.19 776.14 86.49 o 2 6 -7 639.60 752.33 213.97 o -3 7 -7 80.81 -49.63 147.77 o -1 7 -7 498.12 433.15 107.30 o 1 7 -7 1265.17 1306.59 124.89 o 3 7 -7 155.91 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