#======================================================================= data_(K-C23) #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_intensity_meas _refln_intensity_calc _refln_intensity_sigma _refln_observed_status 0 2 0 45315.2 42509.7 1288.1 o 2 2 0 32053.6 28882.5 740.9 o -1 3 0 61341.9 61294.1 776.9 o 1 3 0 133796.0 92622.9 4180.0 o 3 3 0 17634.1 22113.1 310.8 o -2 4 0 21649.4 24990.8 328.4 o 0 4 0 66475.4 67182.1 1444.7 o 2 4 0 72160.6 62415.9 2147.8 o 4 4 0 30227.2 29770.2 666.6 o -3 5 0 767.5 842.7 17.7 o -1 5 0 51255.3 50744.5 660.8 o 1 5 0 50389.6 47860.9 1310.4 o 3 5 0 28275.0 28154.9 524.1 o 5 5 0 6289.0 6124.7 128.3 o -4 6 0 1675.8 1750.4 45.2 o -2 6 0 36218.6 38761.2 604.0 o 0 6 0 189564.8 168089.7 2977.2 o 2 6 0 516.8 483.8 15.8 o 4 6 0 55120.5 53159.8 1013.9 o 6 6 0 106092.3 99734.5 2613.6 o -5 7 0 50247.4 50066.7 1012.4 o -3 7 0 100705.2 103453.6 2464.3 o -1 7 0 183.2 84.0 8.3 o 1 7 0 62881.9 64094.8 1157.8 o 3 7 0 67364.4 63231.8 1650.7 o 5 7 0 44473.1 43326.9 858.0 o 7 7 0 23811.9 23361.9 474.2 o -6 8 0 6755.3 6708.0 126.9 o -4 8 0 39047.9 39889.3 976.6 o -2 8 0 1182.8 1338.1 41.2 o 0 8 0 3952.8 4222.5 80.0 o 2 8 0 17482.6 18414.0 190.3 o 4 8 0 1806.2 1659.7 34.0 o 6 8 0 10932.7 11002.6 171.5 o 8 8 0 131.5 100.8 10.4 o -7 9 0 20758.5 20840.9 409.7 o -5 9 0 34516.3 34238.5 811.6 o -3 9 0 33311.4 34280.4 535.0 o -1 9 0 9901.2 9657.4 260.4 o 1 9 0 132314.5 129888.3 1837.5 o 3 9 0 40050.3 39753.0 494.9 o 5 9 0 1862.5 1827.6 37.1 o 7 9 0 106897.3 104178.5 2430.9 o 9 9 0 27281.1 27465.5 589.5 o -8 10 0 30711.8 32222.5 378.8 o -6 10 0 52278.0 52937.3 1033.4 o -4 10 0 364.9 287.5 15.9 o -2 10 0 65972.1 67961.8 1030.9 o 0 10 0 53255.6 53242.1 722.5 o 2 10 0 1513.4 1407.1 34.9 o 4 10 0 50542.2 49174.2 652.0 o 6 10 0 3912.6 3802.3 61.8 o 8 10 0 2446.4 2281.6 51.7 o 10 10 0 8261.1 8627.5 139.9 o -9 11 0 9140.9 9124.1 159.4 o -7 11 0 16807.3 17033.9 341.6 o -5 11 0 8465.1 8463.1 278.8 o -3 11 0 2641.5 2420.3 73.0 o -1 11 0 14347.6 14230.1 191.7 o 1 11 0 2470.3 2526.9 44.7 o 3 11 0 156.4 179.0 17.9 o 5 11 0 5628.9 5549.5 81.0 o 7 11 0 7906.9 8046.1 106.5 o 9 11 0 704.2 718.4 44.3 o 11 11 0 12138.3 11890.0 260.4 o -10 12 0 637.8 631.7 30.4 o -8 12 0 4359.1 4346.2 103.1 o -6 12 0 12154.2 12219.8 194.9 o -4 12 0 3525.4 3353.2 60.9 o -2 12 0 7038.2 7000.2 115.9 o 0 12 0 29944.5 29733.4 513.4 o 2 12 0 12611.7 12628.4 161.9 o 4 12 0 11035.5 10791.0 137.8 o 6 12 0 5269.8 5195.0 90.0 o 8 12 0 18325.5 18869.1 216.6 o 10 12 0 18049.8 18099.4 294.5 o 12 12 0 201.2 133.3 49.8 o -11 13 0 2830.3 2687.4 62.4 o -9 13 0 29181.6 29977.2 608.5 o -7 13 0 3241.4 3365.7 64.8 o -5 13 0 13623.3 13510.0 254.1 o -3 13 0 20641.7 20571.4 377.2 o -1 13 0 1249.1 1107.4 35.9 o 1 13 0 20143.7 19856.8 315.9 o 3 13 0 14031.0 13700.8 170.0 o 5 13 0 16076.2 15751.0 192.4 o 7 13 0 10681.2 10846.6 148.8 o 9 13 0 8687.3 8871.4 123.1 o 11 13 0 6113.5 6400.9 125.1 o 13 13 0 2184.1 2356.5 64.6 o -12 14 0 13460.7 14084.1 248.1 o -10 14 0 115.0 62.7 19.1 o -8 14 0 1826.2 1811.9 57.1 o -6 14 0 10791.5 11015.7 219.5 o -4 14 0 5540.5 5426.3 116.0 o -2 14 0 4041.2 4056.5 70.0 o 0 14 0 2824.6 2692.3 55.5 o 2 14 0 753.3 588.2 31.0 o 4 14 0 301.8 213.3 19.3 o 6 14 0 29.5 22.8 13.8 < 8 14 0 1312.1 1242.4 67.3 o 10 14 0 6159.4 6197.4 121.6 o 12 14 0 92.0 25.3 18.0 o 14 14 0 1270.3 1169.4 89.9 o -13 15 0 1304.8 1330.0 54.9 o -11 15 0 54.4 63.9 36.5 < -9 15 0 3139.7 3093.1 77.6 o -7 15 0 1415.8 1444.2 77.5 o -5 15 0 10186.8 9961.9 240.7 o -3 15 0 4286.1 4311.0 127.1 o -1 15 0 35.6 27.2 15.6 < 1 15 0 50834.1 50079.1 754.8 o 3 15 0 8403.3 8105.1 128.3 o 5 15 0 4616.6 4523.0 106.4 o 7 15 0 44680.0 45199.5 640.6 o 9 15 0 6990.1 7083.4 120.3 o 11 15 0 9595.4 9688.7 220.8 o 13 15 0 14466.0 15251.1 206.9 o 15 15 0 360.5 367.5 29.4 o -14 16 0 7634.4 7933.6 204.5 o -12 16 0 9317.8 9485.1 356.4 o -10 16 0 47.2 5.3 21.6 < -8 16 0 30765.9 32053.7 517.2 o -6 16 0 24571.9 25316.5 863.7 o -4 16 0 4387.4 4112.8 140.5 o -2 16 0 53392.2 51809.2 1180.4 o 0 16 0 19585.6 19319.8 246.9 o 2 16 0 5721.8 5501.6 103.2 o 4 16 0 41533.0 40617.6 573.2 o 6 16 0 861.8 793.3 43.7 o 8 16 0 4963.3 5022.6 125.1 o 10 16 0 15325.7 15889.2 212.6 o 12 16 0 767.9 764.7 41.3 o 14 16 0 4663.2 5015.4 140.4 o -13 17 0 57.4 3.5 28.8 < -11 17 0 17174.8 17428.9 324.8 o -9 17 0 5418.8 5423.1 106.8 o -7 17 0 -37.1 21.7 53.4 < -5 17 0 14404.1 14204.1 491.4 o -3 17 0 593.4 550.3 35.2 o -1 17 0 675.1 615.8 29.6 o 1 17 0 2110.2 1813.8 113.5 o 3 17 0 205.6 198.3 18.7 o 5 17 0 1260.3 1220.8 49.5 o 7 17 0 -39.6 10.1 53.4 < 9 17 0 100.7 90.8 18.0 o 11 17 0 662.3 617.7 55.0 o 13 17 0 10.0 4.2 29.0 < -12 18 0 -33.5 34.5 60.3 < -10 18 0 77.3 5.1 26.0 < -8 18 0 1064.6 1017.9 50.2 o -6 18 0 2928.7 3090.5 77.5 o -4 18 0 548.5 472.0 28.7 o -2 18 0 1533.5 1409.4 92.6 o 0 18 0 4400.9 4292.8 93.6 o 2 18 0 6243.0 5866.7 248.0 o 4 18 0 2986.8 3008.7 166.1 o 6 18 0 -32.0 2.9 33.0 < 8 18 0 11545.3 11821.6 174.8 o 10 18 0 6267.7 6362.6 180.0 o 12 18 0 1807.8 1621.4 102.9 o -9 19 0 5601.1 5722.5 167.6 o -7 19 0 3.9 4.4 31.6 < -5 19 0 6364.1 6337.1 139.1 o -3 19 0 1737.8 1809.8 79.5 o -1 19 0 3724.6 3491.1 117.8 o 1 19 0 9331.2 9192.4 175.6 o 3 19 0 1122.6 1153.9 52.4 o 5 19 0 9009.5 8961.2 171.5 o 7 19 0 4570.8 4452.5 151.6 o 9 19 0 1104.3 1192.5 87.0 o -8 20 0 2431.3 2280.4 113.2 o -6 20 0 5689.1 6086.6 176.1 o -4 20 0 1143.3 965.5 83.9 o -2 20 0 4195.1 4041.5 100.7 o 0 20 0 4298.2 4132.1 108.0 o 2 20 0 112.2 105.1 19.4 o 4 20 0 1220.0 1139.9 90.4 o 6 20 0 1661.7 1555.3 98.5 o 8 20 0 1650.3 1492.6 100.7 o -5 21 0 220.9 249.8 33.8 o -3 21 0 828.1 736.3 81.0 o -1 21 0 1327.9 1183.2 96.5 o 1 21 0 6426.7 6142.8 187.4 o 3 21 0 96.3 110.6 35.3 < 5 21 0 3216.8 2831.9 130.0 o 0 1 1 1038.3 1198.6 36.5 o -1 2 1 82720.8 80567.0 1467.5 o 1 2 1 62100.1 61746.8 2396.8 o -2 3 1 12944.8 13276.6 173.6 o 0 3 1 94832.5 90491.2 4622.6 o 2 3 1 2982.8 2560.0 68.9 o -3 4 1 511.6 369.5 18.1 o -1 4 1 83508.5 88060.6 1404.5 o 1 4 1 94269.4 89419.8 3810.5 o 3 4 1 17018.7 16956.2 378.6 o -4 5 1 200369.0 171841.2 5502.1 o -2 5 1 105020.0 106987.8 1102.9 o 0 5 1 37283.8 38284.7 642.5 o 2 5 1 171984.8 146554.4 6401.2 o 4 5 1 85732.3 79328.1 1944.6 o -5 6 1 31982.8 31597.6 393.9 o -3 6 1 7435.9 7168.6 115.1 o -1 6 1 34614.0 36147.8 375.7 o 1 6 1 654.8 547.8 18.0 o 3 6 1 8381.7 8445.9 145.4 o 5 6 1 51.1 25.1 10.1 o -6 7 1 1568.6 1616.8 63.4 o -4 7 1 34572.7 34191.0 698.3 o -2 7 1 8515.3 8451.6 114.5 o 0 7 1 7160.5 7508.0 94.9 o 2 7 1 31120.8 30721.3 499.0 o 4 7 1 6949.6 6451.0 113.4 o 6 7 1 47892.1 46987.7 872.6 o -7 8 1 12243.9 11983.3 211.9 o -5 8 1 48714.2 48281.4 955.8 o -3 8 1 4124.1 4212.2 58.5 o -1 8 1 37712.8 37133.7 428.5 o 1 8 1 6519.1 6130.5 81.5 o 3 8 1 19872.6 19561.4 235.4 o 5 8 1 53665.4 51293.0 800.7 o 7 8 1 349.3 259.9 14.4 o -8 9 1 17910.5 18173.9 310.0 o -6 9 1 949.2 918.6 28.6 o -4 9 1 17761.4 17368.9 368.7 o -2 9 1 26885.4 26822.5 337.7 o 0 9 1 12625.1 12677.9 144.7 o 2 9 1 7050.1 6709.7 117.2 o 4 9 1 16294.0 15775.0 184.4 o 6 9 1 161.4 133.6 10.6 o 8 9 1 31.0 12.9 13.2 < -9 10 1 647.8 692.9 27.8 o -7 10 1 338.0 324.6 18.2 o -5 10 1 935.6 934.3 36.7 o -3 10 1 5797.8 5750.4 86.1 o -1 10 1 15245.7 15154.2 288.1 o 1 10 1 2701.0 2622.6 52.0 o 3 10 1 18185.1 18021.5 218.6 o 5 10 1 63018.3 62403.9 1031.0 o 7 10 1 586.8 480.8 26.3 o 9 10 1 14212.6 14400.0 241.1 o -10 11 1 34452.6 34853.6 589.4 o -8 11 1 12635.5 12735.8 225.5 o -6 11 1 5968.3 5765.9 108.7 o -4 11 1 97682.5 101852.7 2037.0 o -2 11 1 26450.8 26536.6 338.2 o 0 11 1 32998.9 32929.0 402.7 o 2 11 1 84732.5 84818.9 996.3 o 4 11 1 12432.3 11958.7 150.9 o 6 11 1 40875.9 40720.4 630.8 o 8 11 1 32602.5 32787.4 392.9 o 10 11 1 772.8 775.6 32.0 o -11 12 1 21890.1 22482.9 288.7 o -9 12 1 8432.2 8327.8 163.9 o -7 12 1 44188.2 45361.2 838.7 o -5 12 1 7396.5 7300.6 124.3 o -3 12 1 8475.6 8380.8 134.4 o -1 12 1 34738.1 35145.4 487.3 o 1 12 1 2778.3 2688.6 101.7 o 3 12 1 10604.2 10484.4 137.2 o 5 12 1 7561.0 7531.3 120.9 o 7 12 1 3643.6 3531.4 250.6 o 9 12 1 7104.4 7159.6 139.6 o 11 12 1 68.5 58.2 34.7 < -12 13 1 75.0 46.3 23.8 o -10 13 1 167.0 171.6 39.1 o -8 13 1 1359.7 1330.3 70.7 o -6 13 1 1421.3 1405.8 52.8 o -4 13 1 5843.0 5740.7 88.3 o -2 13 1 4827.1 4756.2 87.2 o 0 13 1 116.5 83.7 12.6 o 2 13 1 7641.4 7519.6 122.8 o 4 13 1 1600.1 1471.2 42.2 o 6 13 1 17491.0 17431.5 244.8 o 8 13 1 5670.4 5664.8 90.7 o 10 13 1 644.3 640.6 27.8 o 12 13 1 25287.2 26051.1 342.8 o -13 14 1 5743.5 5961.1 142.4 o -11 14 1 11730.1 12349.9 276.9 o -9 14 1 1578.4 1593.6 74.4 o -7 14 1 10899.0 10819.8 272.3 o -5 14 1 8670.1 8958.3 132.2 o -3 14 1 14095.6 13921.5 175.5 o -1 14 1 25664.9 25384.2 320.8 o 1 14 1 10.8 5.3 16.1 < 3 14 1 27114.5 26619.1 329.7 o 5 14 1 30213.1 29784.0 339.6 o 7 14 1 1094.5 1147.1 46.3 o 9 14 1 18526.5 19123.3 227.4 o 11 14 1 6960.4 7205.6 151.0 o 13 14 1 251.1 230.0 17.9 o -14 15 1 4782.5 5467.6 160.6 o -12 15 1 27.2 14.5 23.9 < -10 15 1 14253.4 14247.1 426.3 o -8 15 1 3978.3 4188.6 183.4 o -6 15 1 5940.7 5836.1 158.8 o -4 15 1 17411.4 17281.6 361.5 o -2 15 1 7387.0 7290.6 118.6 o 0 15 1 9891.9 9535.0 144.0 o 2 15 1 8105.1 7804.6 166.4 o 4 15 1 5500.8 5401.2 106.1 o 6 15 1 244.6 211.2 17.7 o 8 15 1 1023.7 1032.9 51.1 o 10 15 1 639.4 596.3 31.2 o 12 15 1 1899.5 1851.5 64.5 o 14 15 1 59.7 39.3 21.9 < -13 16 1 3617.1 3571.7 140.0 o -11 16 1 4182.1 4488.2 109.8 o -9 16 1 141.6 55.7 104.8 < -7 16 1 4771.6 4754.5 105.7 o -5 16 1 3039.6 2880.8 97.4 o -3 16 1 3643.2 3393.7 205.3 o -1 16 1 9.1 6.3 41.0 < 1 16 1 2380.3 2235.0 67.4 o 3 16 1 6458.3 6462.3 158.2 o 5 16 1 4039.6 4022.1 85.5 o 7 16 1 3917.5 3865.1 86.6 o 9 16 1 4400.2 4426.2 106.9 o 11 16 1 1198.2 1210.3 50.6 o 13 16 1 5197.0 5546.6 165.9 o -12 17 1 244.9 179.3 33.7 o -10 17 1 4453.8 4529.4 95.1 o -8 17 1 65.1 57.9 18.4 o -6 17 1 3051.8 2853.4 128.8 o -4 17 1 16179.6 16379.4 523.1 o -2 17 1 561.9 599.6 29.7 o 0 17 1 11011.6 10329.1 264.0 o 2 17 1 9572.5 9286.8 149.2 o 4 17 1 111.1 57.7 19.1 o 6 17 1 15350.3 15377.6 240.4 o 8 17 1 2638.0 2665.8 71.7 o 10 17 1 4121.9 4288.9 92.8 o 12 17 1 9792.5 10175.5 230.7 o -11 18 1 6585.3 7149.3 187.5 o -9 18 1 3974.2 3782.7 148.3 o -7 18 1 13739.9 14026.9 231.2 o -5 18 1 993.7 1118.6 52.4 o -3 18 1 6368.8 5896.1 132.4 o -1 18 1 12036.6 11801.2 210.2 o 1 18 1 2197.8 2060.1 66.9 o 3 18 1 9527.5 9224.1 250.4 o 5 18 1 4863.6 5000.7 117.8 o 7 18 1 1833.8 1750.1 61.2 o 9 18 1 7134.2 6952.4 193.6 o 11 18 1 667.1 771.4 55.3 o -10 19 1 1126.5 1141.9 89.6 o -8 19 1 394.0 385.1 38.7 o -6 19 1 3218.5 3274.1 133.0 o -4 19 1 15.0 51.1 29.2 < -2 19 1 970.5 925.2 71.6 o 0 19 1 852.7 731.2 59.4 o 2 19 1 375.9 370.9 29.5 o 4 19 1 129.7 121.6 19.1 o 6 19 1 3283.2 3326.7 132.9 o 8 19 1 960.1 931.6 58.4 o 10 19 1 225.9 236.5 36.9 o -7 20 1 4246.0 4251.7 148.9 o -5 20 1 893.9 894.2 80.2 o -3 20 1 10270.1 10270.7 242.0 o -1 20 1 12135.4 11800.8 266.9 o 1 20 1 791.6 745.8 61.1 o 3 20 1 18253.3 18077.1 340.5 o 5 20 1 13420.8 13855.6 284.1 o 7 20 1 2058.6 2236.5 114.5 o -4 21 1 11030.1 11191.9 250.9 o -2 21 1 7.3 4.4 38.9 < 0 21 1 14113.3 13742.7 291.5 o 2 21 1 4554.8 4440.0 161.2 o 4 21 1 132.1 133.4 34.0 o 0 0 2 191387.0 195160.8 1964.0 o 1 1 2 27989.9 29272.8 927.0 o 0 2 2 46306.1 48214.1 1440.3 o 2 2 2 2520.1 2481.2 68.9 o -1 3 2 19448.1 19589.7 444.6 o 1 3 2 65681.3 68062.7 2376.9 o 3 3 2 43594.4 42010.8 1196.3 o -2 4 2 5694.8 5519.1 134.3 o 0 4 2 61601.3 66063.2 2363.8 o 2 4 2 12777.3 13318.0 236.4 o 4 4 2 7150.2 6654.1 88.5 o -3 5 2 659.0 721.3 30.0 o -1 5 2 6718.7 7577.0 155.0 o 1 5 2 36142.3 38186.4 714.9 o 3 5 2 6406.8 6147.7 218.2 o 5 5 2 60.0 56.6 8.8 o -4 6 2 7835.7 7149.7 151.5 o -2 6 2 38587.5 39996.8 511.4 o 0 6 2 115627.3 122883.7 3090.9 o 2 6 2 1665.1 1438.1 84.1 o 4 6 2 55464.0 52925.2 1366.0 o 6 6 2 53284.7 51937.5 1142.6 o -5 7 2 46430.9 46429.9 803.1 o -3 7 2 52034.9 53599.9 659.0 o -1 7 2 3048.3 3169.4 72.4 o 1 7 2 55624.1 56430.3 996.6 o 3 7 2 25829.1 25380.3 535.6 o 5 7 2 13791.9 13804.7 245.3 o 7 7 2 25780.6 25725.3 360.6 o -6 8 2 948.0 957.4 60.1 o -4 8 2 12507.5 12558.2 239.3 o -2 8 2 4507.3 4453.3 129.3 o 0 8 2 7928.9 7911.9 128.6 o 2 8 2 3134.3 3094.0 60.1 o 4 8 2 108.1 20.4 71.1 < 6 8 2 14879.9 14585.1 188.8 o 8 8 2 1806.6 1805.8 52.1 o -7 9 2 7961.0 8020.4 132.8 o -5 9 2 14423.1 14465.9 219.1 o -3 9 2 36075.8 36132.6 386.1 o -1 9 2 1246.4 1190.9 57.8 o 1 9 2 72974.3 75615.2 1201.3 o 3 9 2 41094.4 40390.7 574.8 o 5 9 2 5166.7 5256.5 81.2 o 7 9 2 65233.1 64998.7 1247.5 o 9 9 2 28795.1 29151.3 692.8 o -8 10 2 16829.7 17014.5 314.9 o -6 10 2 50777.4 51831.9 1066.7 o -4 10 2 380.2 368.5 17.4 o -2 10 2 34605.3 35570.1 373.0 o 0 10 2 50209.3 50765.9 700.4 o 2 10 2 97.6 71.4 11.6 o 4 10 2 24816.5 24546.1 340.0 o 6 10 2 7245.7 7248.3 101.4 o 8 10 2 140.1 131.6 15.3 o 10 10 2 3220.3 3400.1 64.5 o -9 11 2 11442.8 11730.0 173.5 o -7 11 2 7091.4 7295.4 153.0 o -5 11 2 2403.7 2370.6 98.6 o -3 11 2 5444.7 5427.0 103.1 o -1 11 2 4083.4 4107.9 108.8 o 1 11 2 5408.2 5418.4 122.4 o 3 11 2 519.4 407.9 39.8 o 5 11 2 1163.1 1096.4 35.4 o 7 11 2 10856.3 11043.4 142.0 o 9 11 2 39.9 2.9 19.6 < 11 11 2 5999.3 6019.9 97.5 o -10 12 2 15.8 8.3 28.0 < -8 12 2 6627.5 6648.6 199.1 o -6 12 2 5145.2 5171.8 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