data_I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma _refln_F_squared_calc _refln_observed_status 2 0 0 3803.19 1.17 3869.87 o 4 0 0 108900.00 25.10 97427.61 o 6 0 0 365335.62 82.99 360062.66 o 8 0 0 12051.65 4.08 12200.90 o 10 0 0 22964.37 7.29 21022.35 o 12 0 0 10926.52 5.20 10507.72 o 2 1 0 100876.11 22.94 102804.05 o 3 1 0 54414.89 12.67 53048.44 o 4 1 0 164965.95 37.70 159332.62 o 5 1 0 13787.46 5.20 12756.80 o 6 1 0 4424.91 4.54 4248.71 o 7 1 0 572.64 5.52 451.22 o 8 1 0 1369.74 5.34 1663.37 o 10 1 0 1704.04 4.00 1753.67 o 13 1 0 3804.42 4.24 4138.67 o 2 2 0 258440.06 58.52 271664.62 o 4 2 0 60589.82 14.21 60835.41 o 5 2 0 691059.69 156.50 693862.99 o 6 2 0 3804.42 2.22 4352.19 o 7 2 0 17405.52 4.97 16461.10 o 8 2 0 76391.43 18.58 70212.83 o 9 2 0 3991.71 2.99 3945.75 o 10 2 0 1729.73 4.00 1494.61 o 11 2 0 3976.56 3.53 4612.21 o 12 2 0 2580.64 3.76 2917.62 o 13 2 0 441.84 7.24 367.81 o 1 3 0 147663.43 33.52 152621.61 o 2 3 0 244065.64 55.35 262381.92 o 3 3 0 75438.12 17.47 75319.97 o 4 3 0 5517.52 2.40 5076.74 o 5 3 0 822.54 7.24 1050.34 o 6 3 0 27218.40 6.97 25034.05 o 7 3 0 907.82 2.89 973.14 o 8 3 0 70119.04 17.22 73498.91 o 9 3 0 1506.22 3.06 1475.90 o 10 3 0 1489.96 4.08 1184.17 o 11 3 0 1548.42 4.28 1668.32 o 12 3 0 7358.21 4.54 7126.94 o 13 3 0 11560.55 5.52 11344.97 o 0 4 0 286642.45 64.96 348216.69 o 1 4 0 75043.12 17.31 75186.78 o 2 4 0 136271.72 31.14 130708.62 o 3 4 0 635480.01 143.76 635103.66 o 4 4 0 568576.32 128.60 604903.69 o 5 4 0 1073.87 2.53 1142.77 o 6 4 0 20851.36 6.20 24045.33 o 7 4 0 9783.19 3.35 8792.37 o 8 4 0 1288.09 4.93 943.08 o 9 4 0 2180.89 3.17 2127.53 o 10 4 0 52399.79 13.84 52268.53 o 11 4 0 952.34 5.29 1078.06 o 12 4 0 1177.86 5.24 1126.42 o 13 4 0 1747.24 6.20 1541.90 o 1 5 0 339015.06 77.09 371810.65 o 2 5 0 2316.50 1.32 1589.94 o 3 5 0 28676.04 7.13 23932.53 o 4 5 0 9026.90 3.06 12241.15 o 5 5 0 703.31 4.24 379.54 o 6 5 0 6506.04 2.79 4636.97 o 7 5 0 30726.58 8.18 30828.04 o 8 5 0 4583.29 2.92 4045.49 o 9 5 0 411.28 5.90 504.26 o 11 5 0 2397.08 4.93 2223.78 o 12 5 0 6756.84 4.45 5903.59 o 0 6 0 412690.61 93.32 414882.72 o 1 6 0 1030488.92 232.56 1194350.36 o 2 6 0 841127.44 190.16 912437.84 o 4 6 0 239688.58 55.80 230521.68 o 5 6 0 165551.33 38.32 159671.96 o 6 6 0 3180.96 2.04 3907.72 o 7 6 0 62060.77 16.08 63315.15 o 8 6 0 1500.79 5.24 1086.05 o 10 6 0 2304.96 5.81 2494.87 o 11 6 0 26448.52 8.29 22563.13 o 13 6 0 852.64 9.00 509.72 o 1 7 0 38052.30 10.05 33394.16 o 2 7 0 213434.76 48.58 213425.63 o 3 7 0 6152.83 2.28 8420.79 o 4 7 0 153233.10 35.88 161471.62 o 5 7 0 11532.61 4.49 10003.76 o 6 7 0 2240.13 4.20 1518.17 o 7 7 0 21729.71 7.18 23335.41 o 8 7 0 79129.69 19.36 73071.74 o 9 7 0 1338.83 3.53 1370.59 o 10 7 0 12588.84 5.52 12565.59 o 12 7 0 5339.22 5.15 4845.92 o 13 7 0 1112.22 9.55 1273.51 o 0 8 0 220693.25 50.27 214773.58 o 1 8 0 43764.64 10.50 37014.13 o 3 8 0 14636.16 3.92 15539.96 o 4 8 0 40076.04 10.50 32775.97 o 5 8 0 153397.56 35.52 137194.20 o 6 8 0 512555.76 116.64 500950.82 o 7 8 0 9017.40 3.61 8701.55 o 8 8 0 3840.28 16.24 3090.58 o 10 8 0 12376.56 5.62 12147.33 o 11 8 0 466.13 7.95 517.98 o 12 8 0 3137.12 6.81 3104.09 o 1 9 0 11728.89 4.67 8678.92 o 2 9 0 58351.23 13.84 62918.71 o 3 9 0 56411.00 13.40 63406.81 o 4 9 0 2644.02 4.45 1784.30 o 5 9 0 17590.72 6.10 16805.50 o 6 9 0 1425.06 14.90 1007.52 o 7 9 0 45143.50 11.56 46367.77 o 8 9 0 21048.21 6.76 21340.33 o 9 9 0 35634.11 10.18 32120.03 o 10 9 0 4164.12 4.20 4408.43 o 11 9 0 3618.02 5.76 3317.27 o 12 9 0 1182.67 5.52 1594.78 o 13 9 0 6783.17 7.13 6974.06 o 0 10 0 44415.56 10.63 37859.60 o 1 10 0 284750.30 64.80 280594.07 o 2 10 0 37210.41 9.18 34738.31 o 3 10 0 34280.52 10.37 35649.14 o 4 10 0 8143.26 3.06 6369.43 o 5 10 0 54891.80 13.47 51632.21 o 6 10 0 35178.75 9.80 33750.01 o 7 10 0 43077.00 11.16 40648.85 o 8 10 0 6091.80 4.97 6234.53 o 9 10 0 29395.10 8.82 28180.80 o 10 10 0 5145.19 4.41 5464.41 o 11 10 0 17487.42 6.97 18996.92 o 12 10 0 11060.73 26.01 12294.93 o 1 11 0 17140.05 7.34 16243.80 o 2 11 0 29515.24 9.73 36085.91 o 3 11 0 146505.22 33.87 134065.08 o 4 11 0 25705.71 31.25 26991.41 o 5 11 0 9147.01 9.12 10682.63 o 6 11 0 834.63 15.13 1196.74 o 7 11 0 39620.90 10.89 38001.44 o 8 11 0 49386.17 12.89 48375.49 o 9 11 0 3176.45 4.04 4217.13 o 12 11 0 5655.04 6.50 6554.82 o 0 12 0 273194.38 62.09 278668.46 o 1 12 0 10243.46 3.76 10137.75 o 2 12 0 373565.44 84.82 366794.71 o 3 12 0 760.10 8.53 601.19 o 4 12 0 155756.52 36.24 151249.53 o 5 12 0 22470.01 6.60 26023.10 o 6 12 0 15197.96 4.97 14193.50 o 7 12 0 335.99 6.15 239.51 o 8 12 0 19993.96 6.66 18399.42 o 9 12 0 7509.96 5.20 7055.39 o 10 12 0 18471.53 7.13 17392.76 o 12 12 0 1031.69 13.62 610.15 o 1 13 0 47097.68 12.18 50262.35 o 2 13 0 17784.89 5.90 17811.46 o 3 13 0 130920.95 30.47 125969.02 o 4 13 0 1292.40 5.38 1589.94 o 5 13 0 10227.28 7.40 11960.75 o 6 13 0 4745.83 2.82 4424.56 o 7 13 0 3871.33 2.89 3515.91 o 8 13 0 5179.68 3.24 4473.14 o 9 13 0 14979.31 6.15 16523.46 o 10 13 0 1939.52 8.47 2287.19 o 11 13 0 1448.56 7.78 1683.23 o 12 13 0 689.06 7.40 433.35 o 0 14 0 10128.41 3.24 10557.54 o 1 14 0 155031.19 45.70 141087.97 o 2 14 0 568.35 3.96 318.38 o 4 14 0 46070.33 11.70 50644.05 o 5 14 0 129585.60 30.80 117749.92 o 6 14 0 17103.41 7.08 15966.53 o 7 14 0 2657.40 2.66 2345.60 o 9 14 0 1409.25 12.89 1163.38 o 10 14 0 2946.32 4.84 3178.93 o 11 14 0 4658.06 5.86 4288.37 o 1 15 0 100121.62 23.91 84724.18 o 2 15 0 53592.25 12.96 60506.53 o 3 15 0 169447.49 39.06 168223.01 o 4 15 0 12119.81 4.71 11319.12 o 5 15 0 2087.58 8.01 2458.63 o 6 15 0 17532.41 5.71 15343.87 o 7 15 0 957.28 8.07 1167.52 o 8 15 0 23473.30 8.01 25555.27 o 9 15 0 2670.82 7.51 2200.94 o 12 15 0 2804.76 5.71 2339.73 o 0 16 0 142800.85 33.06 135133.85 o 1 16 0 50809.67 12.32 47181.57 o 2 16 0 5872.16 5.29 4384.28 o 3 16 0 13869.77 5.06 13706.09 o 4 16 0 362.14 6.45 551.66 o 5 16 0 26771.50 8.07 27916.53 o 7 16 0 13778.06 11.90 13550.22 o 8 16 0 5110.82 5.02 4999.20 o 9 16 0 1833.55 6.71 2298.81 o 10 16 0 3578.43 5.11 2833.01 o 11 16 0 12681.01 6.71 11293.31 o 1 17 0 5421.38 6.50 5727.72 o 2 17 0 33386.60 8.76 31191.41 o 3 17 0 54014.41 13.32 58024.47 o 5 17 0 35223.78 11.76 34942.22 o 6 17 0 3948.87 2.86 4513.82 o 7 17 0 47698.56 14.36 46813.17 o 9 17 0 13356.42 6.15 12702.02 o 10 17 0 5317.33 5.48 4360.20 o 0 18 0 61073.24 14.98 55365.68 o 1 18 0 68016.64 16.24 66437.54 o 2 18 0 27748.90 7.34 23021.26 o 3 18 0 32012.37 8.64 29687.92 o 4 18 0 364.81 5.95 239.51 o 5 18 0 49044.53 13.32 48776.78 o 6 18 0 16309.84 6.20 16821.24 o 7 18 0 20340.46 12.96 18465.34 o 8 18 0 3151.70 6.50 3268.52 o 9 18 0 6428.83 5.76 5286.43 o 10 18 0 774.51 10.89 677.90 o 11 18 0 2659.46 6.00 3373.44 o 1 19 0 14460.06 23.62 11683.60 o 2 19 0 76253.30 18.32 74290.82 o 3 19 0 8226.49 6.40 8986.92 o 4 19 0 4619.92 3.69 4964.93 o 5 19 0 5001.32 4.16 5059.46 o 6 19 0 1493.82 6.50 2082.98 o 7 19 0 4950.53 6.66 4408.43 o 8 19 0 32256.16 10.37 27592.98 o 10 19 0 2610.19 5.24 2686.36 o 11 19 0 408.44 9.24 485.36 o 1 20 0 8777.82 3.42 8057.22 o 2 20 0 8370.42 10.96 7712.34 o 3 20 0 9723.93 4.33 10632.51 o 4 20 0 36887.04 10.18 34738.31 o 5 20 0 9512.10 4.84 10396.03 o 6 20 0 16952.04 6.86 14106.87 o 7 20 0 1313.34 9.12 1480.57 o 8 20 0 1141.76 19.01 1835.94 o 9 20 0 2107.73 5.20 1457.30 o 10 20 0 8671.33 5.95 9607.14 o 1 21 0 28291.24 7.67 26376.75 o 2 21 0 26935.37 7.67 29167.37 o 3 21 0 77880.06 19.27 69443.03 o 4 21 0 649.23 9.00 709.87 o 5 21 0 10851.39 5.62 10101.12 o 6 21 0 2125.21 5.66 1830.74 o 7 21 0 49871.82 14.21 45638.81 o 8 21 0 11911.54 6.35 13101.84 o 9 21 0 10201.00 6.05 10998.58 o 10 21 0 2859.04 6.35 2416.68 o 1 22 0 14023.30 5.34 12174.10 o 2 22 0 545.69 7.95 22.99 o 4 22 0 2139.99 3.46 2422.65 o 5 22 0 42090.63 12.18 35603.32 o 6 22 0 2492.01 4.88 3003.48 o 7 22 0 4424.91 7.40 4947.84 o 8 22 0 4348.08 6.66 4376.25 o 10 22 0 6642.25 6.40 8758.26 o 1 23 0 5089.40 3.28 4546.50 o 2 23 0 2913.84 3.72 3523.11 o 3 23 0 32587.47 9.42 30572.82 o 4 23 0 796.93 4.71 389.06 o 6 23 0 5230.18 5.02 4256.63 o 7 23 0 3760.14 10.05 3930.52 o 8 23 0 13091.94 6.60 13620.96 o 9 23 0 2113.24 8.18 1551.45 o 0 24 0 4083.21 3.24 3487.18 o 1 24 0 2908.44 3.24 3213.24 o 2 24 0 2702.96 3.96 2555.87 o 3 24 0 1222.20 8.07 1011.37 o 4 24 0 1111.56 4.80 1299.64 o 5 24 0 14261.14 6.40 11894.47 o 6 24 0 21485.70 7.95 22745.83 o 7 24 0 1416.77 7.34 813.66 o 9 24 0 3225.10 6.30 3530.32 o 1 25 0 3555.74 3.72 3869.87 o 2 25 0 10574.01 4.80 8792.37 o 3 25 0 27099.74 8.47 25497.10 o 4 25 0 646.18 5.71 446.07 o 5 25 0 1963.38 7.13 2661.26 o 7 25 0 4053.87 5.52 5536.43 o 8 25 0 3366.32 5.71 3324.27 o 0 26 0 5492.29 3.61 5277.61 o 1 26 0 1216.61 4.88 1078.06 o 2 26 0 1004.26 5.71 1058.23 o 3 26 0 6869.09 4.84 7511.13 o 5 26 0 3562.90 5.24 4280.42 o 6 26 0 1745.57 5.86 1995.28 o 7 26 0 2018.70 6.66 1370.59 o 1 27 0 1233.41 4.97 1217.82 o 2 27 0 6735.48 4.33 6703.06 o 3 27 0 396.01 9.92 386.67 o 4 27 0 12701.29 6.05 14006.13 o 5 27 0 1398.01 6.25 1619.11 o 6 27 0 577.92 7.51 873.59 o 7 27 0 2440.36 5.81 2275.59 o 0 28 0 24155.38 8.53 18963.48 o 1 28 0 4143.50 4.80 3394.62 o 3 28 0 341.14 7.73 256.72 o 4 28 0 1676.08 7.56 1893.60 o 6 28 0 2476.06 5.86 1941.43 o 7 28 0 3831.61 9.61 2852.43 o 1 29 0 19454.67 7.45 17990.10 o 2 29 0 6430.44 4.93 7106.46 o 3 29 0 6496.36 4.97 6913.38 o 4 29 0 5244.66 5.11 4603.97 o 6 29 0 713.42 7.34 212.16 o 0 30 0 4711.45 5.11 5410.71 o 1 30 0 523.49 8.35 504.26 o 3 30 0 675.48 11.90 789.61 o 4 30 0 2889.06 5.66 4060.95 o 5 30 0 12539.52 6.76 10101.12 o 1 31 0 1135.69 6.50 1226.31 o 2 31 0 16014.90 7.02 15585.39 o 3 31 0 677.04 5.34 292.92 o 4 31 0 3225.10 5.38 2351.49 o 0 32 0 15092.12 6.97 15313.82 o 1 32 0 3021.70 5.81 2494.87 o 3 32 0 922.94 9.30 1163.38 o 1 0 1 112385.86 25.60 108684.73 o 2 0 1 784499.92 177.16 882198.79 o 3 0 1 530115.05 219.93 563075.99 o 4 0 1 91730.24 23.14 101485.07 o 5 0 1 1880.09 1.77 2138.74 o 6 0 1 17950.64 4.93 18481.83 o 7 0 1 1317.69 2.31 1196.74 o 8 0 1 3749.11 2.37 3727.73 o 9 0 1 5727.46 3.03 4862.83 o 10 0 1 4262.78 4.93 4913.75 o 12 0 1 3776.10 4.33 3668.68 o 13 0 1 6766.71 5.11 6476.44 o -13 1 1 1782.53 5.76 1683.23 o -12 1 1 12609.04 5.52 12254.59 o -11 1 1 3671.15 8.24 3983.97 o -10 1 1 9341.22 3.96 10064.56 o -9 1 1 7049.28 3.20 6427.69 o -8 1 1 12762.22 4.33 12729.40 o -7 1 1 3604.80 2.22 4497.52 o -6 1 1 6884.02 2.53 7106.46 o -5 1 1 60191.72 14.29 59259.00 o -4 1 1 60934.92 14.59 63284.61 o -3 1 1 15647.51 5.06 14542.69 o -2 1 1 149436.36 34.11 147403.36 o -1 1 1 74840.54 17.14 76188.59 o 1 1 1 75251.46 17.22 75987.70 o 2 1 1 139211.07 31.81 137959.58 o 3 1 1 17513.88 4.54 16228.33 o 4 1 1 62575.02 17.14 64511.92 o 5 1 1 63206.99 15.21 61767.05 o 6 1 1 6724.00 2.53 7271.13 o 7 1 1 2754.15 1.88 3451.44 o 8 1 1 14161.00 4.54 14135.72 o 9 1 1 6477.03 3.69 5857.05 o 10 1 1 10916.07 5.06 11539.73 o 11 1 1 4352.04 3.39 4595.74 o 12 1 1 13562.93 5.86 12784.23 o 13 1 1 1358.66 5.62 1461.94 o -12 2 1 5872.16 4.67 6091.59 o -11 2 1 5391.96 4.08 5375.05 o -10 2 1 11859.21 4.37 11947.48 o -9 2 1 2802.64 2.56 2736.93 o -8 2 1 46044.58 11.90 44658.75 o -7 2 1 9246.75 3.31 9021.48 o -6 2 1 68382.25 16.24 63866.11 o -5 2 1 47799.08 12.32 49827.89 o -4 2 1 144628.09 33.29 149085.82 o -3 2 1 1274.49 1.74 1527.64 o -2 2 1 514906.70 116.42 542053.59 o -1 2 1 252486.15 57.15 273312.03 o 0 2 1 27609.15 6.50 22745.83 o 1 2 1 235283.20 53.29 258664.63 o 2 2 1 520951.93 117.72 551567.84 o 3 2 1 1467.66 1.59 1825.55 o 4 2 1 141428.64 32.49 146101.38 o 5 2 1 54000.46 13.76 55938.37 o 6 2 1 68298.60 16.24 62888.27 o 7 2 1 7878.34 2.89 7937.82 o 8 2 1 47781.59 12.74 45950.52 o 9 2 1 3442.17 2.99 3422.97 o 10 2 1 12656.25 4.93 12470.52 o 11 2 1 6245.74 3.72 6244.12 o 12 2 1 5152.37 4.88 5277.61 o -13 3 1 9443.95 5.90 9033.01 o -12 3 1 4416.93 4.33 4587.51 o -11 3 1 5532.38 3.80 5339.52 o -10 3 1 15448.00 5.20 15298.80 o -9 3 1 30422.34 8.29 30956.04 o -8 3 1 37056.25 9.73 34354.77 o -7 3 1 9555.06 3.42 10015.91 o -6 3 1 6722.36 2.76 7385.43 o -5 3 1 107511.85 25.00 101678.51 o -4 3 1 150404.35 34.57 153476.37 o -3 3 1 273811.49 62.25 278604.39 o -2 3 1 336353.60 76.21 310544.32 o -1 3 1 32645.26 7.67 33705.42 o 0 3 1 251171.37 77.97 255096.46 o 1 3 1 35736.12 8.35 36874.15 o 2 3 1 318626.38 72.08 301946.50 o 3 3 1 280423.20 63.68 289733.24 o 4 3 1 152951.39 35.05 157882.39 o 5 3 1 100501.68 24.50 95017.90 o 6 3 1 7513.42 2.92 7905.41 o 7 3 1 11526.17 3.96 11775.63 o 8 3 1 36419.91 9.61 33305.49 o 9 3 1 31488.50 8.82 31470.72 o 10 3 1 15742.72 5.62 15706.85 o 11 3 1 5416.96 3.88 5172.32 o 12 3 1 4565.70 4.16 4837.47 o 13 3 1 9590.28 5.48 9654.79 o -13 4 1 12108.80 6.40 11854.79 o -12 4 1 8067.63 5.24 9195.24 o -11 4 1 4839.98 3.69 4956.38 o -10 4 1 10108.29 4.12 9979.50 o -9 4 1 5100.82 3.92 5207.30 o -8 4 1 868.48 4.24 870.00 o -7 4 1 110210.72 25.91 106455.36 o -6 4 1 120395.12 28.20 116752.40 o -5 4 1 16581.71 4.67 15706.85 o -4 4 1 37129.44 10.63 36455.78 o -3 4 1 258551.91 58.83 255464.44 o -2 4 1 105001.92 25.50 100636.15 o -1 4 1 164925.33 37.45 170571.03 o 1 4 1 163587.89 37.21 170420.67 o 2 4 1 103516.63 23.81 101291.82 o 3 4 1 238905.89 54.46 241966.40 o 4 4 1 39374.46 9.61 39049.71 o 6 4 1 126401.58 29.70 119044.67 o 7 4 1 111789.92 26.32 104602.11 o 8 4 1 703.31 5.57 789.61 o 9 4 1 5656.54 3.50 5773.75 o 10 4 1 8875.52 4.54 8554.98 o 11 4 1 4784.49 4.67 5076.74 o 12 4 1 7758.09 4.88 8254.54 o 13 4 1 13717.09 6.25 13395.24 o -12 5 1 2412.77 4.62 2711.59 o -11 5 1 9150.84 4.54 8860.79 o -10 5 1 19819.01 6.55 18333.62 o -9 5 1 13160.68 4.45 13479.66 o -8 5 1 26121.02 7.34 27011.35 o -7 5 1 6551.28 3.17 6554.82 o -6 5 1 103150.17 24.30 107806.15 o -5 5 1 10207.06 3.72 10260.34 o -4 5 1 354191.62 80.46 342012.99 o -3 5 1 15035.66 4.80 12174.10 o -2 5 1 21042.40 5.24 25769.17 o -1 5 1 139442.50 31.81 133976.21 o 0 5 1 24267.41 5.86 25187.93 o 1 5 1 142899.12 32.60 139315.44 o 2 5 1 18648.63 4.75 23465.39 o 3 5 1 15677.54 4.16 12880.49 o 4 5 1 348524.93 79.21 339603.70 o 5 5 1 8815.33 17.14 8724.21 o 6 5 1 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