data_4334606 #======================================================================= # 11. STRUCTURE-FACTOR LIST 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 -1 3 0 4808.52 6743.65 45.80 o 0 3 0 19195.40 16016.90 103.46 o -2 4 0 13784.80 12790.70 84.97 o -1 4 0 5662.30 5745.79 29.52 o 0 4 0 4380.62 4488.32 33.66 o -2 5 0 2136.98 1370.58 12.14 o -1 5 0 16747.50 18087.60 76.97 o 0 5 0 4132.93 5030.15 36.69 o -3 6 0 7011.68 7170.44 48.00 o -2 6 0 2779.79 2028.28 15.45 o -1 6 0 3032.36 2878.27 19.31 o 0 6 0 8973.72 9506.33 65.11 o -3 7 0 1869.67 1181.60 14.35 o -2 7 0 8910.46 8982.99 47.45 o -1 7 0 1717.73 1826.89 18.21 o 0 7 0 1149.69 1151.81 21.24 o -4 8 0 10689.00 10908.60 84.42 o -3 8 0 2816.88 2733.71 25.11 o -2 8 0 1673.85 1440.38 18.48 o -1 8 0 4935.39 5543.84 36.97 o 0 8 0 1264.57 1158.15 25.11 o -4 9 0 2194.37 2144.43 24.55 o -3 9 0 6981.61 7014.57 50.49 o -2 9 0 900.49 888.61 17.66 o -1 9 0 1514.56 1877.38 24.28 o 0 9 0 5679.72 7505.91 83.87 o -5 10 0 7416.41 7286.86 80.01 o -4 10 0 1757.42 1992.97 25.38 o -3 10 0 1177.58 1032.90 20.42 o -2 10 0 3675.60 4223.47 43.59 o -1 10 0 977.11 1179.39 24.55 o 0 10 0 1041.86 885.58 33.66 o -5 11 0 1106.32 916.20 24.00 o -4 11 0 4031.68 3931.59 40.83 o -3 11 0 896.20 875.92 21.79 o -2 11 0 534.42 459.34 18.76 o -1 11 0 2503.60 2659.50 40.83 o 0 11 0 391.74 339.06 31.17 o -6 12 0 2797.45 2398.52 52.14 o -5 12 0 688.09 563.63 23.17 o -4 12 0 701.22 629.84 24.28 o -3 12 0 2443.73 2463.07 37.80 o -2 12 0 574.10 556.18 22.62 o -1 12 0 552.07 491.90 24.00 o 0 12 0 1810.21 1904.69 116.15 o -6 13 0 538.36 457.96 25.38 o -5 13 0 2247.34 2432.72 41.93 o -4 13 0 585.04 588.73 26.76 o -3 13 0 463.12 364.44 33.93 o -2 13 0 1716.24 1772.26 65.11 o -6 14 0 532.77 461.83 76.97 o 0 2 1 897.93 412.72 9.38 o -1 3 1 3526.24 3249.89 14.07 o 0 3 1 15928.60 15848.30 70.35 o -2 4 1 14350.50 13177.50 58.49 o -1 4 1 4978.84 5990.22 20.69 o 0 4 1 5728.02 6996.08 32.55 o -2 5 1 2968.06 3637.78 14.90 o -1 5 1 18957.20 19677.80 56.28 o 0 5 1 3964.48 3993.11 23.73 o -3 6 1 8159.11 8577.99 42.21 o -2 6 1 2742.45 2338.10 11.86 o -1 6 1 4067.54 3822.07 17.10 o 0 6 1 11369.90 11529.40 55.45 o -3 7 1 1812.53 1733.09 12.14 o -2 7 1 9202.81 9440.40 35.31 o -1 7 1 1995.22 1921.52 13.24 o 0 7 1 1547.01 1236.78 16.00 o -4 8 1 7868.41 9267.69 57.38 o -3 8 1 2199.49 2176.71 15.45 o -2 8 1 1721.82 1597.08 14.07 o -1 8 1 6082.81 5660.54 29.52 o 0 8 1 1789.56 1664.39 21.79 o -4 9 1 1557.85 1640.67 16.83 o -3 9 1 5804.70 5904.42 31.73 o -2 9 1 1026.80 902.68 12.97 o -1 9 1 1563.55 1764.54 17.66 o 0 9 1 6616.45 7022.85 56.56 o -5 10 1 5330.60 5871.59 49.93 o -4 10 1 1324.18 1542.73 17.93 o -3 10 1 1131.73 1092.22 15.73 o -2 10 1 4123.14 4046.36 28.69 o -1 10 1 1282.38 1259.40 17.10 o 0 10 1 1035.11 866.27 23.73 o -5 11 1 926.53 904.34 16.55 o -4 11 1 3627.17 3511.42 29.80 o -3 11 1 864.11 809.16 15.73 o -2 11 1 628.19 579.08 14.35 o -1 11 1 2893.29 2787.23 27.86 o 0 11 1 529.04 525.28 25.11 o -6 12 1 2457.69 2379.48 37.24 o -5 12 1 557.11 534.11 15.17 o -4 12 1 809.76 877.58 17.38 o -3 12 1 2627.04 2731.78 30.07 o -2 12 1 621.63 533.28 17.10 o -1 12 1 521.21 449.96 18.21 o -6 13 1 535.62 560.59 17.10 o -5 13 1 2152.11 2459.49 29.80 o -4 13 1 487.60 474.24 16.83 o -3 13 1 534.26 569.14 25.93 o 0 0 2 30333.50 27299.30 273.95 o 0 1 2 5889.05 5780.00 30.90 o -1 2 2 14938.80 14216.50 65.38 o 0 2 2 2366.53 3000.49 17.93 o -1 3 2 4365.90 3959.18 15.45 o 0 3 2 17269.50 18268.90 76.97 o -2 4 2 16325.10 16964.80 70.90 o -1 4 2 4730.64 4983.80 19.59 o 0 4 2 4189.55 4773.58 25.93 o -2 5 2 3018.55 3426.18 15.45 o -1 5 2 14768.40 13870.50 44.97 o 0 5 2 3138.97 3297.34 22.07 o -3 6 2 8555.85 7984.02 43.59 o -2 6 2 2542.83 2429.41 14.07 o -1 6 2 2949.97 3010.97 15.73 o 0 6 2 9283.18 8533.02 49.11 o -3 7 2 1646.43 2209.81 14.62 o -2 7 2 8014.09 7981.26 32.83 o -1 7 2 2002.31 2016.97 14.62 o 0 7 2 1160.12 786.82 14.62 o -4 8 2 5909.02 6719.65 48.56 o -3 8 2 1751.68 1570.04 14.62 o -2 8 2 1368.83 1394.86 13.79 o -1 8 2 5281.23 4987.67 28.14 o 0 8 2 1629.59 2007.32 25.11 o -4 9 2 1106.07 1271.81 15.17 o -3 9 2 4679.60 4523.08 28.97 o -2 9 2 1008.01 986.55 14.35 o -1 9 2 1107.08 1222.43 16.28 o 0 9 2 4939.05 4992.63 44.42 o -5 10 2 4057.37 4246.65 40.28 o -4 10 2 1096.65 1202.84 16.28 o -3 10 2 925.14 914.55 15.73 o -2 10 2 3547.88 3256.78 27.86 o -1 10 2 1066.28 1020.76 17.66 o 0 10 2 775.64 689.98 21.52 o -5 11 2 803.52 796.75 15.73 o -4 11 2 3283.85 2967.94 27.86 o -3 11 2 798.94 792.33 17.10 o -2 11 2 571.95 705.15 16.55 o -1 11 2 2463.22 2441.83 28.14 o 0 11 2 456.99 577.15 24.00 o -6 12 2 2472.74 2380.03 36.14 o -5 12 2 571.63 655.22 16.83 o -4 12 2 746.10 793.99 17.93 o -3 12 2 2411.88 2550.80 28.97 o -2 12 2 524.95 480.86 17.93 o -1 12 2 480.49 440.03 24.28 o -6 13 2 555.28 562.25 17.10 o -5 13 2 2118.25 2290.65 32.28 o -4 13 2 438.01 468.45 25.66 o 0 0 3 20837.10 21888.20 196.43 o 0 1 3 4616.04 4517.01 23.45 o -1 2 3 14360.90 14277.70 57.94 o 0 2 3 2893.77 3831.45 21.24 o -1 3 3 3016.81 3073.60 13.79 o 0 3 3 10434.50 10301.10 46.90 o -2 4 3 10395.60 9034.02 45.52 o -1 4 3 2740.87 3206.30 15.17 o 0 4 3 1514.77 1649.77 16.55 o -2 5 3 1926.57 1865.24 12.14 o -1 5 3 7317.58 6962.43 27.86 o 0 5 3 1655.17 1561.49 17.10 o -3 6 3 7790.36 7324.11 43.87 o -2 6 3 1968.16 1534.73 12.14 o -1 6 3 1826.42 1965.38 14.07 o 0 6 3 6326.27 5667.16 39.45 o -3 7 3 1878.90 2184.16 15.73 o -2 7 3 7497.37 7016.78 34.49 o -1 7 3 1530.34 1908.55 16.00 o 0 7 3 1286.21 1166.15 18.48 o -4 8 3 6781.62 6958.56 47.45 o -3 8 3 1719.46 1595.70 15.45 o -2 8 3 1675.81 2114.91 18.48 o -1 8 3 4835.49 5420.80 30.90 o 0 8 3 919.59 1380.79 22.90 o -4 9 3 1338.40 1559.84 16.83 o -3 9 3 5239.81 5017.19 32.28 o -2 9 3 848.16 927.24 14.07 o -1 9 3 1183.26 1303.82 16.83 o 0 9 3 3470.72 3735.71 44.14 o -5 10 3 4418.59 4212.44 41.11 o -4 10 3 1140.22 1218.85 17.66 o -3 10 3 1035.81 932.76 16.00 o -2 10 3 3205.27 3242.71 28.14 o -1 10 3 622.26 654.12 16.00 o 0 10 3 739.97 686.39 23.17 o -5 11 3 786.94 729.43 15.73 o -4 11 3 3170.03 2938.42 28.42 o -3 11 3 713.55 765.85 17.38 o -2 11 3 566.01 728.88 17.66 o -1 11 3 2117.94 1877.10 27.31 o 0 11 3 422.00 596.73 43.04 o -6 12 3 2245.89 2150.50 39.45 o -5 12 3 585.46 795.64 19.04 o -4 12 3 501.21 424.58 15.45 o -3 12 3 1957.31 2010.07 28.42 o -2 12 3 480.42 422.93 32.55 o -6 13 3 381.94 455.76 51.04 o 0 0 4 8413.55 9040.09 113.11 o 0 1 4 2424.62 2205.95 17.38 o -1 2 4 10878.30 9986.37 51.87 o 0 2 4 2585.14 3013.46 20.97 o -1 3 4 2832.17 2618.39 15.17 o 0 3 4 9673.94 10033.00 54.35 o -2 4 4 10048.20 9676.00 53.80 o -1 4 4 2185.96 2378.93 15.73 o 0 4 4 1644.32 1913.79 19.59 o -2 5 4 1983.08 1972.00 15.17 o -1 5 4 6253.48 6567.36 30.07 o 0 5 4 1246.69 1406.17 18.48 o -3 6 4 6801.20 6477.70 43.87 o -2 6 4 1533.33 1509.90 14.62 o -1 6 4 1463.35 1393.48 13.79 o 0 6 4 5203.59 4842.00 37.52 o -3 7 4 1366.43 1515.97 15.45 o -2 7 4 5471.74 5263.82 29.52 o -1 7 4 1358.93 1412.24 15.45 o 0 7 4 911.97 744.88 17.93 o -4 8 4 3893.37 4037.25 38.07 o -3 8 4 1063.78 894.41 14.07 o -2 8 4 1057.82 1087.80 14.62 o -1 8 4 3868.57 3816.55 27.31 o 0 8 4 969.79 1165.05 23.17 o -4 9 4 722.36 802.26 15.17 o -3 9 4 3336.73 3108.91 25.38 o -2 9 4 823.56 822.13 14.35 o -1 9 4 663.13 713.98 14.90 o 0 9 4 2504.99 2507.21 35.59 o -5 10 4 2566.31 2463.90 37.24 o -4 10 4 725.79 736.60 16.00 o -3 10 4 679.40 620.18 14.90 o -2 10 4 2540.64 2532.32 25.11 o -1 10 4 597.46 536.04 15.17 o 0 10 4 448.18 383.75 20.69 o -5 11 4 565.74 530.80 17.38 o -4 11 4 2389.38 2217.54 25.66 o -3 11 4 580.17 548.73 16.00 o -2 11 4 465.71 586.53 22.07 o -1 11 4 1708.77 1618.60 77.25 o -6 12 4 1942.00 2069.94 67.59 o -5 12 4 480.43 528.04 36.69 o 0 0 5 3011.47 3419.00 62.90 o 0 1 5 1032.70 1086.42 17.10 o -1 2 5 5752.11 5479.01 40.00 o 0 2 5 1520.01 1345.48 18.48 o -1 3 5 1705.46 1420.79 13.79 o 0 3 5 6092.69 6291.48 44.97 o -2 4 5 6590.96 5964.84 46.90 o -1 4 5 1347.28 1339.68 14.90 o 0 4 5 1316.19 1494.18 21.79 o -2 5 5 1517.96 1393.75 15.73 o -1 5 5 4670.98 5294.45 30.62 o 0 5 5 890.05 966.97 18.21 o -3 6 5 5264.14 5239.27 48.00 o -2 6 5 1103.29 1144.08 14.90 o -1 6 5 1230.17 1139.67 15.73 o 0 6 5 4246.99 4100.43 38.90 o -3 7 5 1091.18 1055.80 14.62 o -2 7 5 4186.31 4075.88 28.14 o -1 7 5 985.65 905.72 14.07 o 0 7 5 936.79 770.81 22.35 o -4 8 5 2900.13 3035.53 37.24 o -3 8 5 732.79 686.95 13.79 o -2 8 5 907.45 880.06 15.73 o -1 8 5 3314.78 3173.47 27.31 o 0 8 5 749.35 679.22 22.62 o -4 9 5 558.91 595.08 14.90 o -3 9 5 2563.54 2556.87 24.83 o -2 9 5 667.66 663.22 15.17 o -1 9 5 594.38 553.97 14.90 o 0 9 5 2075.98 1861.37 36.69 o -5 10 5 1833.64 2118.77 38.35 o -4 10 5 493.32 466.24 15.17 o -3 10 5 565.73 493.83 16.00 o -2 10 5 2140.23 2186.64 34.21 o 0 0 6 4990.88 6999.95 192.84 o 0 1 6 1339.55 1572.80 26.21 o -1 2 6 5807.77 6029.12 52.14 o 0 2 6 1566.25 1478.45 23.45 o -1 3 6 1193.76 1095.80 15.45 o 0 3 6 4416.93 4346.24 43.59 o -2 4 6 4263.11 3755.58 45.24 o -1 4 6 1044.77 856.61 14.62 o 0 4 6 641.98 796.75 20.69 o -2 5 6 865.18 729.98 15.45 o -1 5 6 2950.10 3078.84 27.86 o 0 5 6 810.18 766.40 20.97 o -3 6 6 3481.12 3127.40 45.52 o -2 6 6 850.20 843.09 17.93 o -1 6 6 550.00 568.87 14.07 o 0 6 6 2510.14 2521.01 37.24 o -3 7 6 741.40 639.22 15.45 o -2 7 6 2731.08 2662.81 26.48 o -1 7 6 686.13 604.46 16.00 o 0 7 6 536.85 578.25 25.38 o -4 8 6 2466.83 2353.27 35.59 o -3 8 6 606.21 585.15 14.90 o -2 8 6 557.67 544.59 15.73 o -1 8 6 2042.41 2086.77 35.59 o 0 8 6 405.88 307.88 64.56 o -4 9 6 505.49 515.62 28.69 o -3 9 6 2006.35 2050.35 49.93 o 0 0 7 2304.62 2534.25 116.15 o 0 1 7 635.33 692.74 24.00 o -1 2 7 2905.68 2720.19 40.00 o 0 2 7 793.75 673.15 22.90 o -1 3 7 690.25 694.12 16.83 o 0 3 7 2660.03 2655.09 40.55 o -2 4 7 2583.98 2417.83 39.18 o -1 4 7 575.88 601.97 17.93 o 0 4 7 637.51 678.39 22.90 o -2 5 7 640.14 598.94 16.83 o -1 5 7 2243.63 2398.79 31.17 o 0 5 7 507.98 503.21 24.55 o -3 6 7 2340.14 2223.61 41.93 o -2 6 7 520.78 578.80 20.97 o -1 6 7 524.15 507.07 28.69 o _[local]_cod_data_source_file 'ic302587t_si_003.hkl' _[local]_cod_data_source_block 'I'