#------------------------------------------------------------------------------ #$Date: 2018-03-28 07:48:05 +0300 (Wed, 28 Mar 2018) $ #$Revision: 207151 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/82/2108221.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2108221 _cod_data_source_file xk5046Vsup6.hkl _cod_data_source_block V 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 2 0 5344.22 5532.18 111.53 o 1 1 0 5428.67 5560.55 118.36 o 0 2 0 1.52 5.77 7.85 < -1 3 0 2.49 3.44 7.78 < 1 2 0 2.49 6.30 8.11 < 0 3 0 4611.22 4453.74 36.09 o -2 4 0 30584.30 29632.00 426.57 o 2 2 0 30388.30 29909.90 422.85 o -1 4 0 4.40 12.56 7.64 < 1 3 0 4.38 7.97 8.34 < 0 4 0 14.37 14.50 6.77 < -2 5 0 0.30 9.52 12.50 < 2 3 0 0.30 6.35 10.23 < -1 5 0 8689.30 8678.16 51.23 o 1 4 0 8654.57 8694.83 54.73 o 0 5 0 12.56 21.66 8.25 < -3 6 0 34088.10 35232.30 278.50 o 3 3 0 34414.00 34925.50 307.30 o -2 6 0 3.85 11.53 14.29 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4946.55 35.22 o 1 2 2 4778.32 4906.59 41.95 o 0 3 2 55.33 58.23 6.35 o -4 4 2 37.78 44.52 9.67 o -3 4 2 33464.50 34442.30 220.36 o -4 3 2 33844.60 34970.50 186.09 o -2 4 2 195.49 200.24 9.67 o 2 2 2 195.70 193.93 10.06 o -1 4 2 15.31 17.27 6.88 < 1 3 2 15.37 18.38 7.02 < 0 4 2 22725.80 22620.50 65.34 o -5 5 2 14709.30 14681.90 91.21 o -4 5 2 135.65 141.15 10.04 o -5 4 2 135.68 135.37 10.41 o -3 5 2 47.43 45.44 8.25 o -5 3 2 47.48 39.37 9.01 o -2 5 2 9293.38 9447.29 43.49 o 2 3 2 9287.32 9390.92 46.33 o -1 5 2 5.47 11.43 8.62 < 1 4 2 5.49 15.26 8.54 < 0 5 2 32.84 31.25 9.49 o -6 6 2 23.15 42.77 11.46 o -5 6 2 27.35 25.06 10.27 < -6 5 2 27.28 17.97 10.07 < -4 6 2 12243.80 12439.70 57.33 o -6 4 2 12221.80 12138.80 66.85 o -3 6 2 1.90 9.97 12.20 < 3 3 2 1.91 8.31 15.84 < -2 6 2 0.15 9.40 12.63 < 2 4 2 0.15 7.97 15.43 < -1 6 2 6352.00 6409.34 60.14 o 1 5 2 6412.53 6493.74 64.66 o 0 6 2 32.65 28.64 10.85 < -7 7 2 0.32 12.50 17.28 < -6 7 2 2529.54 2553.08 54.37 o -7 6 2 2522.32 2434.61 93.70 o -5 7 2 24.58 24.23 13.12 < -7 5 2 24.59 25.40 13.35 < -4 7 2 27.90 37.07 11.02 o -7 4 2 27.94 32.31 14.57 < -3 7 2 8263.26 8266.02 62.20 o 3 4 2 8228.92 8201.63 72.42 o -2 7 2 1.84 10.11 16.98 < 2 5 2 1.87 12.22 18.36 < -1 7 2 5.65 14.96 12.93 < 1 6 2 5.68 13.76 14.73 < 0 7 2 40669.60 40477.30 239.55 o -8 8 2 1478.15 1483.41 27.35 o -7 8 2 33.55 37.52 12.86 < -8 7 2 33.48 29.38 14.57 < -6 8 2 46.18 36.02 14.27 < -8 6 2 46.20 37.29 14.69 < -5 8 2 4242.15 4348.95 135.14 o -8 5 2 4264.72 4240.59 180.74 o -4 8 2 43.20 44.48 12.26 o 4 4 2 43.20 37.41 14.62 < -3 8 2 35.98 27.92 14.02 < 3 5 2 36.01 32.98 15.27 < -2 8 2 3497.68 3461.48 143.59 o 2 6 2 3486.66 3299.15 135.36 o -1 8 2 146.11 159.74 19.03 o 1 7 2 146.05 145.38 18.45 o 0 8 2 14.77 16.70 24.45 < -9 9 2 2.01 2.80 29.51 < -8 9 2 5.79 15.36 19.54 < -9 8 2 5.79 12.31 17.46 < -7 9 2 20178.50 19926.80 134.68 o -9 7 2 20190.60 20014.90 141.38 o -6 9 2 58.02 46.51 14.55 o -9 6 2 57.98 44.32 15.75 < -5 9 2 27.44 20.42 15.82 < -9 5 2 27.41 23.97 13.69 < -4 9 2 5641.53 5552.42 60.48 o 4 5 2 5634.86 5570.13 52.45 o -3 9 2 39.29 39.88 17.34 < 3 6 2 39.28 39.97 15.22 < -2 9 2 4.10 16.81 44.83 < 2 7 2 4.05 19.74 20.30 < -1 9 2 935.70 924.24 28.18 o 1 8 2 935.35 973.23 29.49 o 0 9 2 25.15 15.40 23.78 < -10 10 2 36.86 27.16 18.98 < -9 10 2 842.83 897.02 24.82 o -10 9 2 855.02 867.97 24.89 o -8 10 2 3.32 10.34 18.50 < -10 8 2 3.30 13.19 17.25 < -7 10 2 6.87 10.37 23.69 < -10 7 2 6.88 20.44 20.12 < -6 10 2 4838.48 4794.35 44.81 o -10 6 2 4798.86 4690.63 44.58 o -5 10 2 98.12 88.12 16.00 o 5 5 2 98.30 93.91 19.40 o -4 10 2 25.38 17.41 15.56 < 4 6 2 25.49 20.60 20.81 < -3 10 2 2965.48 3021.05 42.99 o 3 7 2 2990.53 3034.64 38.30 o -2 10 2 10.74 13.19 21.39 < 2 8 2 10.67 17.62 20.94 < -1 10 2 2.27 8.38 39.12 < 1 9 2 2.29 21.20 27.71 < 0 10 2 84.02 112.50 24.78 o -11 11 2 8652.26 8660.85 64.84 o -10 11 2 47.77 66.67 21.98 o -11 10 2 47.76 54.25 20.21 < -9 11 2 65.14 58.29 18.36 o -11 9 2 65.22 47.98 21.96 < -8 11 2 846.10 832.48 24.35 o -11 8 2 854.42 855.99 27.00 o -7 11 2 69.73 53.76 18.64 < -11 7 2 69.83 51.61 20.25 < -6 11 2 5.39 13.07 25.17 < -11 6 2 5.38 17.85 22.17 < -5 11 2 3261.82 3204.57 37.72 o 5 6 2 3261.83 3213.34 38.31 o -4 11 2 20.16 25.50 19.40 < 4 7 2 20.23 20.69 20.48 < -3 11 2 4.09 15.71 20.81 < 3 8 2 4.08 27.64 31.64 < -2 11 2 9327.63 9365.42 101.36 o 2 9 2 9311.58 9268.53 118.78 o -1 11 2 12.15 21.43 28.03 < 1 10 2 12.13 19.49 26.46 < 0 11 2 21.31 20.71 29.97 < -12 12 2 49.03 44.99 25.63 < -11 12 2 21.71 25.59 25.61 < -12 11 2 21.71 23.35 26.03 < -10 12 2 418.42 427.94 28.70 o -12 10 2 418.10 421.27 28.72 o -9 12 2 3.25 17.99 24.18 < -12 9 2 3.28 34.29 29.75 < -8 12 2 50.96 52.08 19.56 < -12 8 2 50.93 48.31 21.61 < -7 12 2 1645.98 1665.61 33.80 o -12 7 2 1652.89 1660.41 35.87 o -6 12 2 46.56 46.95 20.60 < 6 6 2 46.59 40.92 21.25 < -5 12 2 23.46 18.43 23.33 < 5 7 2 23.52 13.60 21.24 < -4 12 2 1626.83 1591.33 33.24 o 4 8 2 1616.11 1567.79 36.20 o -3 12 2 9.51 15.29 33.65 < 3 9 2 9.44 21.01 28.52 < 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25.29 41.01 < -14 12 2 0.14 28.25 36.10 < -11 14 2 738.03 738.29 43.16 o -14 11 2 736.33 699.83 43.44 o -10 14 2 7.11 24.94 45.43 < -14 10 2 7.14 22.72 34.27 < -9 14 2 14.55 22.22 35.42 < -14 9 2 14.57 26.39 30.60 < -8 14 2 727.60 691.89 32.40 o -14 8 2 718.14 732.50 34.26 o -7 14 2 66.61 64.68 28.82 < 7 7 2 66.69 53.94 29.46 < -6 14 2 73.12 85.21 31.57 < 6 8 2 73.23 82.81 31.92 < -5 14 2 2396.38 2318.68 53.50 o 5 9 2 2399.52 2325.82 85.59 o -4 14 2 34.70 33.00 35.68 < 4 10 2 34.68 33.37 29.03 < -3 14 2 11.45 24.89 42.65 < 3 11 2 11.46 31.24 40.42 < -2 14 2 529.82 547.60 43.10 o 2 12 2 527.97 451.89 37.89 o -1 14 2 2.40 18.68 72.17 < 1 13 2 2.40 23.69 52.26 < 0 14 2 0.18 28.82 46.51 < -15 15 2 3.48 14.43 41.36 < -14 15 2 61.20 57.55 26.76 < -15 14 2 61.11 82.77 30.44 < -13 15 2 3158.12 3284.57 85.25 o -15 13 2 3157.94 3136.68 72.98 o -12 15 2 46.81 39.60 40.37 < -15 12 2 46.83 40.00 36.44 < -11 15 2 26.08 18.31 69.32 < -15 11 2 26.02 25.66 29.91 < -10 15 2 689.67 696.18 42.69 o -15 10 2 696.21 692.92 34.23 o -9 15 2 15.71 27.62 38.50 < -15 9 2 15.65 10.07 40.48 < -8 15 2 23.74 18.77 32.24 < -15 8 2 23.75 39.17 34.78 < -7 15 2 1076.99 1023.08 64.15 o 7 8 2 1077.60 1083.84 45.83 o -6 15 2 17.97 16.23 44.64 < 6 9 2 17.99 16.46 55.43 < -5 15 2 37.58 46.44 42.81 < 5 10 2 37.54 36.81 33.11 < -4 15 2 1905.09 1830.66 133.89 o 4 11 2 1905.03 1765.69 117.61 o -3 15 2 23.72 16.53 40.99 < 3 12 2 23.75 34.57 38.27 < -2 15 2 5.13 5.20 89.97 < 2 13 2 5.15 10.51 52.95 < -1 15 2 424.30 429.68 35.37 o 1 14 2 429.82 412.17 38.76 o 0 15 2 1.32 14.23 46.44 < -16 16 2 12.27 33.14 46.99 < -15 16 2 402.61 416.63 34.79 o -16 15 2 399.22 449.96 38.01 o -14 16 2 17.34 26.65 37.90 < -16 14 2 17.33 21.29 32.59 < -13 16 2 15.56 23.40 34.45 < -16 13 2 15.58 27.46 34.43 < -12 16 2 1101.20 1079.95 41.27 o -16 12 2 1089.09 1107.34 37.42 o -11 16 2 3.84 8.73 105.17 < -16 11 2 3.85 32.84 57.71 < -10 16 2 8.17 16.76 60.25 < -16 10 2 8.19 7.50 58.50 < -9 16 2 2991.89 2917.54 58.91 o -16 9 2 2994.75 2912.32 63.82 o -8 16 2 39.18 53.87 36.93 < 8 8 2 39.22 50.21 41.64 < -7 16 2 13.47 33.53 47.99 < 7 9 2 13.49 25.19 55.91 < -6 16 2 1739.76 1746.65 58.36 o 6 10 2 1724.01 1748.47 63.68 o -5 16 2 2.27 34.53 76.33 < 5 11 2 2.27 13.40 54.36 < -4 16 2 7.92 10.51 37.00 < 4 12 2 7.97 21.22 40.34 < -3 16 2 711.46 730.74 40.62 o 3 13 2 705.48 688.03 38.50 o -2 16 2 24.36 31.11 35.66 < 2 14 2 24.45 20.67 38.87 < -1 16 2 26.28 46.28 37.23 < 1 15 2 26.36 24.08 43.09 < 0 16 2 1439.51 1422.58 46.84 o -17 17 2 161.60 184.75 36.78 o -16 17 2 3.13 18.75 41.91 < -17 16 2 3.15 13.09 53.35 < -15 17 2 5.65 17.85 36.53 < -17 15 2 5.64 12.86 36.58 < -14 17 2 1216.05 1236.10 42.76 o -17 14 2 1226.05 1206.47 43.99 o -13 17 2 33.35 27.23 32.22 < -17 13 2 33.34 29.70 35.06 < -12 17 2 61.02 64.82 31.31 < -17 12 2 61.10 64.20 28.84 < -11 17 2 592.87 581.66 35.25 o -17 11 2 588.87 570.04 37.08 o -10 17 2 27.59 34.43 31.08 < -17 10 2 27.65 37.25 33.74 < -9 17 2 15.50 30.97 38.01 < -17 9 2 15.47 36.19 31.22 < -8 17 2 347.21 363.87 31.17 o 8 9 2 351.13 382.86 33.45 o -7 17 2 19.20 17.36 33.88 < 7 10 2 19.24 18.08 37.99 < -6 17 2 7.44 36.33 43.81 < 6 11 2 7.45 26.95 59.21 < -5 17 2 718.65 689.73 45.41 o 5 12 2 724.11 716.98 42.12 o -4 17 2 22.15 12.47 51.89 < 4 13 2 22.04 25.34 43.16 < -3 17 2 20.80 43.78 42.40 < 3 14 2 20.82 18.77 35.79 < -2 17 2 491.23 477.44 43.29 o 2 15 2 488.35 492.26 40.29 o -1 17 2 2.97 28.17 46.40 < 1 16 2 2.94 17.34 52.67 < 0 17 2 5.62 23.78 39.21 < -18 18 2 12.99 15.12 35.65 < -17 18 2 2.76 15.98 50.71 < -18 17 2 2.74 29.38 37.43 < -16 18 2 1040.21 1131.73 47.54 o -18 16 2 1039.04 1033.19 38.43 o -15 18 2 19.20 31.73 32.05 < -18 15 2 19.16 20.58 37.92 < -14 18 2 9.02 22.42 38.64 < -18 14 2 9.00 13.03 40.51 < -13 18 2 1099.94 1102.20 39.16 o -18 13 2 1097.92 1047.89 36.69 o -12 18 2 8.87 24.32 41.77 < -18 12 2 8.88 19.28 35.68 < -11 18 2 30.79 35.28 32.72 < -18 11 2 30.80 30.87 35.59 < -10 18 2 267.19 240.69 30.87 o -18 10 2 263.60 270.65 34.20 o -9 18 2 29.74 14.15 39.68 < 9 9 2 29.80 36.23 37.46 < -8 18 2 17.67 33.76 39.12 < 8 10 2 17.67 24.11 40.11 < -7 18 2 2398.29 2486.48 51.85 o 7 11 2 2396.99 2331.61 61.37 o -6 18 2 2.89 23.18 46.74 < 6 12 2 2.86 19.28 61.77 < -5 18 2 2.12 34.50 47.23 < 5 13 2 2.12 15.84 41.38 < -4 18 2 804.74 859.58 43.83 o 4 14 2 803.19 797.63 39.01 o -3 18 2 4.26 2.77 50.04 < 3 15 2 4.26 25.59 49.54 < -2 18 2 7.81 38.20 79.12 < 2 16 2 7.84 11.34 48.38 < -1 18 2 180.57 202.57 37.75 o 1 17 2 178.31 169.47 33.30 o 0 18 2 5.58 5.89 44.53 < -19 19 2 3.67 19.00 30.14 < -18 19 2 346.30 373.51 31.31 o -19 18 2 350.63 345.76 31.38 o -17 19 2 7.87 22.29 35.61 < -19 17 2 7.85 28.34 28.96 < -16 19 2 4.91 23.97 44.02 < -19 16 2 4.85 24.62 35.57 < -15 19 2 216.59 219.54 32.83 o -19 15 2 215.50 176.57 31.75 o -14 19 2 23.76 49.33 49.40 < -19 14 2 23.71 16.42 36.42 < -13 19 2 20.29 33.21 32.95 < -19 13 2 20.26 27.11 32.68 < -12 19 2 544.10 566.55 35.07 o -19 12 2 550.37 531.93 33.91 o -11 19 2 0.51 33.32 42.84 < -19 11 2 0.52 20.90 51.80 < 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< -20 13 2 2.61 23.00 48.64 < -12 20 2 8.65 28.20 39.12 < -20 12 2 8.63 35.36 36.84 < -11 20 2 2797.55 2801.44 127.71 o -20 11 2 2795.74 2742.76 116.47 o -10 20 2 11.58 30.79 34.60 < 10 10 2 11.57 25.36 39.42 < -9 20 2 25.10 35.57 37.83 < 9 11 2 25.16 35.08 38.40 < -8 20 2 33.94 47.90 37.81 < 8 12 2 34.08 38.54 39.90 < -7 20 2 6.49 16.31 39.38 < 7 13 2 6.57 8.89 62.24 < -6 20 2 2.87 13.39 35.65 < 6 14 2 2.87 10.37 40.80 < -5 20 2 769.70 764.05 50.59 o 5 15 2 769.40 766.62 71.99 o -4 20 2 20.78 39.30 36.81 < 4 16 2 20.68 23.79 36.58 < -3 20 2 2.33 15.03 38.80 < 3 17 2 2.32 32.47 44.78 < -2 20 2 1331.89 1352.40 43.88 o 2 18 2 1331.81 1320.93 59.74 o -1 20 2 0.39 21.46 32.05 < 1 19 2 0.39 44.50 63.44 < -21 21 2 2.77 5.94 35.17 < -20 21 2 2.57 13.88 31.24 < -21 20 2 2.57 12.33 38.94 < -19 21 2 103.26 96.10 26.33 o -21 19 2 101.30 125.54 38.03 o -18 21 2 8.96 7.09 42.52 < -21 18 2 8.97 32.52 41.47 < -17 21 2 21.24 8.64 56.93 < -21 17 2 21.24 28.40 42.65 < -16 21 2 260.37 265.36 35.70 o -21 16 2 263.76 260.14 33.55 o -15 21 2 29.64 35.98 25.24 < -21 15 2 29.64 43.39 27.59 < -14 21 2 27.56 37.78 28.89 < -21 14 2 27.52 17.74 46.16 < -13 21 2 187.26 190.48 28.08 o -21 13 2 184.02 200.10 34.04 o -12 21 2 23.37 34.11 32.40 < -21 12 2 23.31 30.16 34.11 < -11 21 2 7.59 27.06 40.81 < -21 11 2 7.61 15.06 44.02 < -10 21 2 46.47 58.42 32.00 < 10 11 2 45.14 49.40 33.18 < -9 21 2 17.97 26.32 37.41 < 9 12 2 18.01 40.67 63.07 < -8 21 2 30.88 36.84 38.22 < 8 13 2 30.95 54.02 43.49 < -7 21 2 140.46 120.18 30.69 o 7 14 2 142.70 159.05 32.05 o -6 21 2 11.93 21.08 33.25 < 6 15 2 11.94 26.69 31.80 < -5 21 2 15.86 27.67 46.92 < 5 16 2 15.88 12.75 42.24 < -4 21 2 324.07 369.28 56.47 o 4 17 2 319.95 299.78 59.27 o -3 21 2 16.36 23.14 34.62 < 3 18 2 16.35 29.15 66.25 < -2 21 2 1.46 1.34 44.20 < 2 19 2 1.48 44.15 58.56 < -1 21 2 7.09 14.07 28.48 < 1 20 2 7.06 48.66 47.81 < 0 21 2 3.97 6.37 30.09 < -22 22 2 3.74 6.58 30.35 < -21 22 2 17.84 22.73 23.56 < -22 21 2 18.34 29.21 23.83 < -20 22 2 3.12 10.99 22.26 < -22 20 2 3.07 12.15 49.54 < -19 22 2 7.71 11.69 22.63 < -22 19 2 7.68 11.62 48.27 < -18 22 2 659.43 652.45 29.89 o -22 18 2 659.88 664.81 52.15 o -17 22 2 2.46 8.32 43.74 < -22 17 2 2.47 37.02 32.86 < -16 22 2 9.49 9.59 48.06 < -22 16 2 9.46 27.37 39.91 < -15 22 2 1073.78 1118.24 44.63 o -22 15 2 1074.08 1183.74 54.25 o -14 22 2 7.47 14.89 48.94 < -22 14 2 7.49 23.25 85.45 < -13 22 2 4.53 16.58 41.52 < -22 13 2 4.50 24.55 54.18 < -12 22 2 13.27 13.18 30.57 < -22 12 2 13.54 13.00 30.46 < -11 22 2 24.79 19.07 31.20 < 11 11 2 24.69 29.75 37.27 < -10 22 2 25.59 12.38 33.26 < 10 12 2 25.56 23.49 33.83 < -9 22 2 1821.32 1878.50 55.70 o 9 13 2 1821.26 1801.92 64.03 o -8 22 2 3.18 3.72 44.04 < 8 14 2 3.18 1.96 62.51 < -7 22 2 9.39 4.76 49.03 < 7 15 2 9.42 32.38 58.42 < -6 22 2 485.14 475.77 57.23 o 6 16 2 484.17 525.54 45.94 o -5 22 2 2.53 12.35 45.27 < 5 17 2 2.55 19.95 49.79 < -4 22 2 4.73 4.32 49.65 < -3 22 2 16.43 26.26 32.14 < 3 19 2 16.61 36.37 49.21 < 2 20 2 7.40 1.50 34.55 < 1 21 2 9.89 6.93 27.69 < -21 23 2 1.56 5.26 27.25 < -23 21 2 1.57 6.83 27.60 < -20 23 2 13.22 7.73 22.15 < -23 20 2 13.21 3.97 19.00 < -19 23 2 1.62 5.63 25.77 < -23 19 2 1.65 3.51 28.71 < -18 23 2 0.55 16.72 31.89 < -23 18 2 0.56 9.54 27.27 < -17 23 2 835.32 824.28 41.31 o -23 17 2 829.56 801.76 72.62 o -16 23 2 13.17 9.33 56.28 < -23 16 2 13.20 12.38 62.95 < -15 23 2 16.22 27.00 33.90 < -23 15 2 16.25 7.41 35.33 < -14 23 2 99.74 121.49 37.20 o -23 14 2 100.93 125.60 38.63 o -13 23 2 13.24 8.52 34.97 < -23 13 2 13.25 31.73 35.52 < -12 23 2 1.97 10.14 42.29 < -23 12 2 1.97 9.24 37.07 < -11 23 2 103.79 130.03 31.91 o 11 12 2 101.68 87.31 32.26 < -10 23 2 9.81 15.08 32.35 < 10 13 2 9.78 15.33 47.06 < -9 23 2 4.15 11.68 36.07 < 9 14 2 4.14 14.36 34.04 < -8 23 2 400.39 413.56 38.55 o 8 15 2 396.34 391.15 38.93 o -7 23 2 8.92 13.39 43.21 < 7 16 2 8.93 21.76 59.65 < -6 23 2 6.40 26.44 38.04 < 6 17 2 6.43 5.26 58.86 < -5 23 2 95.85 104.74 33.16 o 5 18 2 96.42 81.97 47.75 < -4 23 2 2.51 1.50 31.08 < 3 20 2 5.40 1.46 23.32 < -19 24 2 102.85 100.13 31.27 o -24 19 2 104.32 101.16 21.89 o -18 24 2 3.97 17.13 25.24 < -24 18 2 3.94 5.94 31.87 < -17 24 2 5.14 9.31 26.65 < -24 17 2 5.14 13.92 29.23 < -16 24 2 160.94 134.10 24.32 o -24 16 2 163.18 157.91 25.54 o -15 24 2 11.72 3.46 47.90 < -24 15 2 11.71 11.98 49.12 < -14 24 2 10.49 10.16 27.23 < -24 14 2 10.51 17.39 34.68 < -13 24 2 556.72 578.29 28.05 o -24 13 2 556.88 545.43 34.86 o -12 24 2 8.82 12.12 25.96 < 12 12 2 8.83 13.51 48.13 < -11 24 2 17.22 15.38 26.40 < 11 13 2 17.17 11.32 23.78 < -10 24 2 306.23 327.85 30.97 o 10 14 2 309.33 307.91 26.04 o -9 24 2 8.57 14.16 27.99 < 9 15 2 8.54 20.62 37.87 < -8 24 2 5.33 36.97 45.84 < 8 16 2 5.37 17.11 25.45 < -7 24 2 149.57 159.06 30.74 o 7 17 2 151.30 132.91 28.86 o -6 24 2 9.38 24.99 31.73 < 6 18 2 9.34 6.91 23.76 < -5 24 2 7.72 6.65 29.38 < 5 19 2 7.74 9.54 19.07 < -17 25 2 15.36 14.11 18.25 < -25 17 2 15.31 8.41 26.56 < -16 25 2 4.36 8.52 29.77 < -25 16 2 4.33 19.21 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23.36 21.55 8.10 < 0 4 3 1.86 6.38 16.86 < -5 5 3 69.08 65.70 11.66 o -4 5 3 9232.13 9227.25 85.56 o -5 4 3 9147.87 9157.36 52.21 o -3 5 3 62.35 64.03 9.05 o -5 3 3 62.42 61.75 10.25 o -2 5 3 92.41 89.18 10.32 o 2 3 3 92.39 86.01 9.93 o -1 5 3 8445.85 8456.11 62.02 o 1 4 3 8370.01 8409.22 59.97 o 0 5 3 24.02 19.65 9.19 < -6 6 3 2173.60 2244.32 26.04 o -5 6 3 42.55 47.32 11.46 o -6 5 3 42.62 38.79 11.75 o -4 6 3 9.42 13.18 11.83 < -6 4 3 9.40 17.30 11.69 < -3 6 3 5184.35 5180.40 37.51 o 3 3 3 5206.29 5209.77 35.76 o -2 6 3 55.96 47.02 10.99 o 2 4 3 55.86 50.66 10.49 o -1 6 3 33.39 25.73 10.37 < 1 5 3 33.40 23.83 11.59 < 0 6 3 1188.17 1239.40 20.44 o -7 7 3 23.32 27.62 13.10 < -6 7 3 12.80 10.51 14.50 < -7 6 3 12.74 5.03 13.99 < -5 7 3 6996.79 6812.19 231.36 o -7 5 3 6972.10 7015.42 208.83 o -4 7 3 0.57 13.56 14.25 < -7 4 3 0.59 12.45 13.42 < -3 7 3 5.41 9.93 16.39 < 3 4 3 5.39 16.24 13.81 < -2 7 3 8242.38 8347.07 51.49 o 2 5 3 8228.37 8290.51 61.19 o -1 7 3 116.95 100.36 13.55 o 1 6 3 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6556.40 63.03 o -3 11 3 12.32 22.86 21.94 < 3 8 3 12.32 24.92 33.58 < -2 11 3 27.56 26.24 27.34 < 2 9 3 27.48 39.14 23.63 < -1 11 3 238.77 245.99 28.79 o 1 10 3 238.21 256.14 24.85 o 0 11 3 21.18 13.12 36.32 < -12 12 3 255.51 266.15 29.76 o -11 12 3 4.95 17.32 31.82 < -12 11 3 4.98 24.76 33.51 < -10 12 3 0.49 17.94 41.75 < -12 10 3 0.50 22.93 40.14 < -9 12 3 641.50 687.90 27.97 o -12 9 3 638.14 643.29 31.12 o -8 12 3 22.52 29.53 25.50 < -12 8 3 22.45 28.80 28.94 < -7 12 3 11.97 35.10 22.93 < -12 7 3 11.92 13.92 26.32 < -6 12 3 4681.18 4651.60 51.05 o 6 6 3 4652.55 4544.79 133.66 o -5 12 3 34.91 33.95 21.39 < 5 7 3 35.04 42.12 23.97 < -4 12 3 7.03 19.47 40.44 < 4 8 3 7.02 23.12 32.21 < -3 12 3 819.39 863.81 36.62 o 3 9 3 815.27 812.47 37.07 o -2 12 3 28.73 20.25 33.48 < 2 10 3 28.79 38.49 37.27 < -1 12 3 15.97 27.69 29.82 < 1 11 3 15.97 34.45 26.69 < 0 12 3 77.93 93.30 28.26 o -13 13 3 111.04 121.16 33.64 o -12 13 3 37.02 29.83 30.57 < -13 12 3 37.16 29.81 33.88 < -11 13 3 5077.29 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3 2.17 23.97 56.16 < -10 21 3 1.87 22.61 42.61 < 10 11 3 1.85 1.22 60.88 < -9 21 3 60.34 82.49 29.33 < 9 12 3 61.97 63.46 35.24 < -8 21 3 4.19 23.81 51.62 < 8 13 3 4.18 13.56 40.71 < -7 21 3 1.39 20.97 90.50 < 7 14 3 1.40 21.99 35.56 < -6 21 3 809.21 795.06 41.24 o 6 15 3 802.85 763.39 41.67 o -5 21 3 21.29 20.42 57.39 < 5 16 3 21.43 35.03 55.33 < -4 21 3 15.61 15.38 76.46 < 4 17 3 15.54 27.62 64.36 < -3 21 3 239.01 276.94 45.54 o 3 18 3 242.34 281.05 47.84 o -1 21 3 6.30 30.11 41.80 < 1 20 3 6.28 24.29 31.20 < 0 21 3 28.35 33.07 30.28 < -22 22 3 25.12 47.76 19.26 < -21 22 3 16.85 13.83 35.27 < -22 21 3 16.90 5.91 23.33 < -20 22 3 438.42 420.94 26.59 o -22 20 3 437.42 421.72 30.10 o -19 22 3 8.35 10.12 27.18 < -22 19 3 8.34 7.74 37.07 < -18 22 3 19.40 22.01 23.70 < -22 18 3 19.47 20.88 25.54 < -17 22 3 173.77 188.68 36.63 o -22 17 3 175.48 188.49 31.26 o -16 22 3 0.49 7.23 46.47 < -22 16 3 0.49 8.11 37.97 < -15 22 3 14.03 14.07 32.38 < -22 15 3 14.00 44.15 50.69 < -14 22 3 120.35 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3683.62 3692.60 38.12 o -3 2 4 3660.84 3676.29 32.27 o -1 3 4 411.15 427.18 14.33 o 1 2 4 411.16 392.84 12.88 o 0 3 4 402.79 395.17 13.36 o -4 4 4 18737.10 18951.40 107.73 o -3 4 4 25.14 29.35 11.66 < -4 3 4 25.10 33.11 11.52 < -2 4 4 53.98 54.08 10.11 o 2 2 4 53.99 57.54 11.06 o -1 4 4 16652.60 16643.20 106.22 o 1 3 4 16797.50 16890.30 112.76 o 0 4 4 693.07 677.89 15.64 o -5 5 4 124.62 120.60 12.74 o -4 5 4 52.98 46.51 11.22 o -5 4 4 53.00 53.64 12.77 o -3 5 4 5751.62 5790.35 40.83 o -5 3 4 5746.83 5837.90 41.96 o -2 5 4 170.74 171.74 12.38 o 2 3 4 170.59 168.94 12.93 o -1 5 4 91.63 81.31 12.12 o 1 4 4 91.57 79.20 10.85 o 0 5 4 15284.10 15290.30 110.24 o -6 6 4 129.62 120.88 14.64 o -5 6 4 4063.93 4167.44 116.13 o -6 5 4 4098.58 4020.68 164.83 o -4 6 4 67.61 57.84 11.25 o -6 4 4 67.83 68.08 13.02 o -3 6 4 7.26 10.58 13.53 < 3 3 4 7.21 19.42 14.85 < -2 6 4 10232.90 10336.40 104.11 o 2 4 4 10236.20 10355.00 147.30 o -1 6 4 59.06 50.36 12.45 o 1 5 4 59.00 55.45 12.52 o 0 6 4 3.01 7.13 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-1 5 19 8.01 13.12 22.35 < 1 4 19 7.99 10.78 23.74 < 0 5 19 48.13 43.42 24.46 < -6 6 19 40.20 31.13 20.14 < -5 6 19 201.27 190.88 22.58 o -6 5 19 204.25 190.38 23.80 o -4 6 19 55.96 62.60 23.69 < -6 4 19 55.96 48.63 21.98 < -3 6 19 1.78 6.33 19.95 < 3 3 19 1.78 9.97 22.66 < -2 6 19 162.34 121.47 19.88 o 2 4 19 160.38 116.04 22.93 o -1 6 19 14.71 18.73 27.60 < 1 5 19 14.72 15.31 21.18 < 0 6 19 1.53 8.08 37.37 < -7 7 19 198.75 191.69 19.58 o -6 7 19 53.35 61.96 25.35 < -7 6 19 53.30 46.72 19.98 < -5 7 19 12.62 3.88 19.75 < -7 5 19 12.61 7.88 24.53 < -4 7 19 156.99 121.59 22.58 o -7 4 19 155.37 132.22 22.95 o -3 7 19 46.89 31.91 17.37 < 3 4 19 46.86 51.26 17.39 < -2 7 19 23.76 18.57 21.08 < 2 5 19 23.71 23.81 19.77 < -1 7 19 75.38 69.94 20.50 o 1 6 19 73.74 61.26 19.81 o 0 7 19 12.70 13.26 22.40 < -8 8 19 0.63 2.13 27.55 < -7 8 19 0.73 14.30 30.46 < -8 7 19 0.73 4.30 19.17 < -6 8 19 42.33 36.19 21.24 < -8 6 19 41.96 38.49 17.44 < -5 8 19 9.01 21.68 21.91 < -8 5 19 9.04 9.45 17.51 < -4 8 19 18.61 7.14 25.54 < 4 4 19 18.62 26.16 17.76 < -3 8 19 232.18 241.97 37.48 o 3 5 19 234.91 220.80 20.27 o -2 8 19 115.87 108.07 24.18 o 2 6 19 115.91 90.66 24.55 o -1 8 19 10.26 10.07 20.55 < 1 7 19 10.27 8.59 19.26 < 0 8 19 11.90 12.98 18.68 < -7 9 19 19.42 22.93 26.32 < -9 7 19 19.44 6.81 25.42 < -9 6 19 2.31 13.42 26.79 < -5 9 19 127.87 153.23 31.50 o -9 5 19 128.07 140.04 21.63 o -4 9 19 77.66 66.30 30.39 < 4 5 19 77.58 64.45 19.75 o -3 9 19 29.89 14.66 28.06 < 3 6 19 29.88 41.33 28.43 < -2 9 19 276.48 255.81 30.64 o 2 7 19 277.14 306.98 31.31 o -1 1 20 9.74 14.82 23.40 < 0 1 20 10.17 20.04 19.28 < -2 2 20 497.25 404.23 76.15 o -1 2 20 48.29 39.76 17.73 < 1 1 20 48.27 30.69 17.57 < 0 2 20 0.29 0.02 31.89 < -3 3 20 175.17 137.80 23.48 o -2 3 20 23.08 28.71 21.78 < -3 2 20 23.08 24.92 16.88 < -1 3 20 22.50 17.13 15.56 < 1 2 20 22.21 21.92 17.66 < 0 3 20 9.23 25.29 30.53 < -4 4 20 14.18 28.38 26.51 < -3 4 20 126.61 103.85 20.72 o -4 3 20 128.65 116.60 21.68 o -2 4 20 30.07 25.59 29.30 < 2 2 20 30.08 29.24 16.31 < -1 4 20 4.56 6.79 27.58 < 0 4 20 171.44 140.24 16.62 o -5 4 20 34.72 24.38 18.08 < -3 5 20 2.70 9.58 24.00 < -5 3 20 2.71 3.00 25.64 < -2 5 20 51.33 21.54 24.68 < 2 3 20 51.27 52.84 26.62 < 1 4 20 42.21 22.40 24.62 < loop_ _twin_refln_datum_id _twin_refln_individual_id _twin_refln_index_h _twin_refln_index_k _twin_refln_index_l _twin_refln_f_squared_calc _twin_refln_f_squared_meas _twin_refln_f_squared_sigma _twin_refln_include_status ? ? ? ? ? ? ? ? ?