#======================================================================= data_(K-C22) #======================================================================= # 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 42376.9 1288.1 o 2 2 0 32053.6 29079.4 740.9 o -1 3 0 61341.9 61469.0 776.9 o 1 3 0 133796.0 92750.8 4180.0 o 3 3 0 17634.1 21956.7 310.8 o -2 4 0 21649.4 25092.4 328.4 o 0 4 0 66475.4 67044.8 1444.7 o 2 4 0 72160.6 62593.6 2147.8 o 4 4 0 30227.2 29808.2 666.6 o -3 5 0 767.5 850.5 17.7 o -1 5 0 51255.3 50871.6 660.8 o 1 5 0 50389.6 47781.4 1310.4 o 3 5 0 28275.0 28197.9 524.1 o 5 5 0 6289.0 6113.1 128.3 o -4 6 0 1675.8 1753.3 45.2 o -2 6 0 36218.6 38704.5 604.0 o 0 6 0 189564.8 168196.1 2977.2 o 2 6 0 516.8 484.9 15.8 o 4 6 0 55120.5 53176.3 1013.9 o 6 6 0 106092.3 99643.6 2613.6 o -5 7 0 50247.4 50099.2 1012.4 o -3 7 0 100705.2 103411.8 2464.3 o -1 7 0 183.2 84.5 8.3 o 1 7 0 62881.9 64114.8 1157.8 o 3 7 0 67364.4 63213.6 1650.7 o 5 7 0 44473.1 43267.2 858.0 o 7 7 0 23811.9 23469.4 474.2 o -6 8 0 6755.3 6664.1 126.9 o -4 8 0 39047.9 39799.3 976.6 o -2 8 0 1182.8 1355.4 41.2 o 0 8 0 3952.8 4238.7 80.0 o 2 8 0 17482.6 18380.7 190.3 o 4 8 0 1806.2 1640.9 34.0 o 6 8 0 10932.7 11056.7 171.5 o 8 8 0 131.5 104.8 10.4 o -7 9 0 20758.5 20758.6 409.7 o -5 9 0 34516.3 34138.9 811.6 o -3 9 0 33311.4 34374.1 535.0 o -1 9 0 9901.2 9617.7 260.4 o 1 9 0 132314.5 129799.6 1837.5 o 3 9 0 40050.3 39889.7 494.9 o 5 9 0 1862.5 1847.0 37.1 o 7 9 0 106897.3 104010.9 2430.9 o 9 9 0 27281.1 27546.1 589.5 o -8 10 0 30711.8 32131.3 378.8 o -6 10 0 52278.0 53069.7 1033.4 o -4 10 0 364.9 278.8 15.9 o -2 10 0 65972.1 67852.7 1030.9 o 0 10 0 53255.6 53350.1 722.5 o 2 10 0 1513.4 1390.4 34.9 o 4 10 0 50542.2 49046.1 652.0 o 6 10 0 3912.6 3838.2 61.8 o 8 10 0 2446.4 2247.0 51.7 o 10 10 0 8261.1 8580.8 139.9 o -9 11 0 9140.9 9155.1 159.4 o -7 11 0 16807.3 16958.7 341.6 o -5 11 0 8465.1 8402.0 278.8 o -3 11 0 2641.5 2448.6 73.0 o -1 11 0 14347.6 14153.3 191.7 o 1 11 0 2470.3 2552.8 44.7 o 3 11 0 156.4 171.2 17.9 o 5 11 0 5628.9 5511.6 81.0 o 7 11 0 7906.9 8070.2 106.5 o 9 11 0 704.2 704.7 44.3 o 11 11 0 12138.3 11859.9 260.4 o -10 12 0 637.8 621.7 30.4 o -8 12 0 4359.1 4378.6 103.1 o -6 12 0 12154.2 12172.3 194.9 o -4 12 0 3525.4 3318.7 60.9 o -2 12 0 7038.2 7041.4 115.9 o 0 12 0 29944.5 29599.2 513.4 o 2 12 0 12611.7 12557.4 161.9 o 4 12 0 11035.5 10846.9 137.8 o 6 12 0 5269.8 5146.5 90.0 o 8 12 0 18325.5 18813.9 216.6 o 10 12 0 18049.8 18132.1 294.5 o 12 12 0 201.2 133.7 49.8 o -11 13 0 2830.3 2697.9 62.4 o -9 13 0 29181.6 29921.2 608.5 o -7 13 0 3241.4 3391.9 64.8 o -5 13 0 13623.3 13545.5 254.1 o -3 13 0 20641.7 20498.1 377.2 o -1 13 0 1249.1 1090.1 35.9 o 1 13 0 20143.7 19909.6 315.9 o 3 13 0 14031.0 13647.6 170.0 o 5 13 0 16076.2 15673.0 192.4 o 7 13 0 10681.2 10888.3 148.8 o 9 13 0 8687.3 8828.8 123.1 o 11 13 0 6113.5 6372.7 125.1 o 13 13 0 2184.1 2361.8 64.6 o -12 14 0 13460.7 14073.6 248.1 o -10 14 0 115.0 60.1 19.1 o -8 14 0 1826.2 1819.6 57.1 o -6 14 0 10791.5 10983.3 219.5 o -4 14 0 5540.5 5377.6 116.0 o -2 14 0 4041.2 4082.7 70.0 o 0 14 0 2824.6 2671.8 55.5 o 2 14 0 753.3 576.5 31.0 o 4 14 0 301.8 216.5 19.3 o 6 14 0 29.5 21.0 13.8 < 8 14 0 1312.1 1242.5 67.3 o 10 14 0 6159.4 6184.3 121.6 o 12 14 0 92.0 26.7 18.0 o 14 14 0 1270.3 1166.4 89.9 o -13 15 0 1304.8 1321.5 54.9 o -11 15 0 54.4 65.0 36.5 < -9 15 0 3139.7 3090.5 77.6 o -7 15 0 1415.8 1431.3 77.5 o -5 15 0 10186.8 9929.8 240.7 o -3 15 0 4286.1 4334.6 127.1 o -1 15 0 35.6 29.2 15.6 < 1 15 0 50834.1 49975.0 754.8 o 3 15 0 8403.3 8158.0 128.3 o 5 15 0 4616.6 4536.6 106.4 o 7 15 0 44680.0 45135.8 640.6 o 9 15 0 6990.1 7096.4 120.3 o 11 15 0 9595.4 9687.1 220.8 o 13 15 0 14466.0 15266.2 206.9 o 15 15 0 360.5 365.3 29.4 o -14 16 0 7634.4 7915.6 204.5 o -12 16 0 9317.8 9477.2 356.4 o -10 16 0 47.2 5.3 21.6 < -8 16 0 30765.9 32005.7 517.2 o -6 16 0 24571.9 25345.5 863.7 o -4 16 0 4387.4 4114.8 140.5 o -2 16 0 53392.2 51755.2 1180.4 o 0 16 0 19585.6 19350.2 246.9 o 2 16 0 5721.8 5519.7 103.2 o 4 16 0 41533.0 40584.6 573.2 o 6 16 0 861.8 801.3 43.7 o 8 16 0 4963.3 5053.8 125.1 o 10 16 0 15325.7 15886.3 212.6 o 12 16 0 767.9 758.7 41.3 o 14 16 0 4663.2 5025.0 140.4 o -13 17 0 57.4 3.3 28.8 < -11 17 0 17174.8 17409.4 324.8 o -9 17 0 5418.8 5430.7 106.8 o -7 17 0 -37.1 21.3 53.4 < -5 17 0 14404.1 14176.9 491.4 o -3 17 0 593.4 555.5 35.2 o -1 17 0 675.1 624.3 29.6 o 1 17 0 2110.2 1814.2 113.5 o 3 17 0 205.6 196.4 18.7 o 5 17 0 1260.3 1225.3 49.5 o 7 17 0 -39.6 10.5 53.4 < 9 17 0 100.7 90.8 18.0 o 11 17 0 662.3 617.2 55.0 o 13 17 0 10.0 4.3 29.0 < -12 18 0 -33.5 34.1 60.3 < -10 18 0 77.3 5.1 26.0 < -8 18 0 1064.6 1019.2 50.2 o -6 18 0 2928.7 3089.1 77.5 o -4 18 0 548.5 468.3 28.7 o -2 18 0 1533.5 1414.6 92.6 o 0 18 0 4400.9 4276.1 93.6 o 2 18 0 6243.0 5846.5 248.0 o 4 18 0 2986.8 3021.6 166.1 o 6 18 0 -32.0 2.9 33.0 < 8 18 0 11545.3 11807.0 174.8 o 10 18 0 6267.7 6357.2 180.0 o 12 18 0 1807.8 1612.2 102.9 o -9 19 0 5601.1 5723.5 167.6 o -7 19 0 3.9 4.4 31.6 < -5 19 0 6364.1 6342.9 139.1 o -3 19 0 1737.8 1813.7 79.5 o -1 19 0 3724.6 3488.0 117.8 o 1 19 0 9331.2 9192.4 175.6 o 3 19 0 1122.6 1156.1 52.4 o 5 19 0 9009.5 8931.0 171.5 o 7 19 0 4570.8 4450.4 151.6 o 9 19 0 1104.3 1185.9 87.0 o -8 20 0 2431.3 2284.4 113.2 o -6 20 0 5689.1 6085.5 176.1 o -4 20 0 1143.3 958.4 83.9 o -2 20 0 4195.1 4039.9 100.7 o 0 20 0 4298.2 4133.4 108.0 o 2 20 0 112.2 106.0 19.4 o 4 20 0 1220.0 1133.0 90.4 o 6 20 0 1661.7 1557.9 98.5 o 8 20 0 1650.3 1487.5 100.7 o -5 21 0 220.9 250.3 33.8 o -3 21 0 828.1 735.3 81.0 o -1 21 0 1327.9 1185.9 96.5 o 1 21 0 6426.7 6125.1 187.4 o 3 21 0 96.3 110.0 35.3 < 5 21 0 3216.8 2835.1 130.0 o 0 1 1 1038.3 1203.4 36.5 o -1 2 1 82720.8 80558.3 1467.5 o 1 2 1 62100.1 61743.9 2396.8 o -2 3 1 12944.8 13276.7 173.6 o 0 3 1 94832.5 90549.7 4622.6 o 2 3 1 2982.8 2567.0 68.9 o -3 4 1 511.6 367.7 18.1 o -1 4 1 83508.5 88070.3 1404.5 o 1 4 1 94269.4 89461.7 3810.5 o 3 4 1 17018.7 16947.8 378.6 o -4 5 1 200369.0 171910.8 5502.1 o -2 5 1 105020.0 107055.4 1102.9 o 0 5 1 37283.8 38292.3 642.5 o 2 5 1 171984.8 146602.9 6401.2 o 4 5 1 85732.3 79355.7 1944.6 o -5 6 1 31982.8 31588.4 393.9 o -3 6 1 7435.9 7162.5 115.1 o -1 6 1 34614.0 36128.1 375.7 o 1 6 1 654.8 546.1 18.0 o 3 6 1 8381.7 8423.3 145.4 o 5 6 1 51.1 24.9 10.1 o -6 7 1 1568.6 1619.9 63.4 o -4 7 1 34572.7 34198.1 698.3 o -2 7 1 8515.3 8449.9 114.5 o 0 7 1 7160.5 7498.0 94.9 o 2 7 1 31120.8 30691.6 499.0 o 4 7 1 6949.6 6440.8 113.4 o 6 7 1 47892.1 47012.7 872.6 o -7 8 1 12243.9 11937.1 211.9 o -5 8 1 48714.2 48313.4 955.8 o -3 8 1 4124.1 4211.0 58.5 o -1 8 1 37712.8 37112.5 428.5 o 1 8 1 6519.1 6127.3 81.5 o 3 8 1 19872.6 19562.5 235.4 o 5 8 1 53665.4 51229.7 800.7 o 7 8 1 349.3 268.6 14.4 o -8 9 1 17910.5 18257.2 310.0 o -6 9 1 949.2 929.6 28.6 o -4 9 1 17761.4 17323.7 368.7 o -2 9 1 26885.4 26860.5 337.7 o 0 9 1 12625.1 12664.8 144.7 o 2 9 1 7050.1 6696.1 117.2 o 4 9 1 16294.0 15800.0 184.4 o 6 9 1 161.4 129.5 10.6 o 8 9 1 31.0 10.4 13.2 < -9 10 1 647.8 716.2 27.8 o -7 10 1 338.0 312.8 18.2 o -5 10 1 935.6 914.1 36.7 o -3 10 1 5797.8 5726.1 86.1 o -1 10 1 15245.7 15193.4 288.1 o 1 10 1 2701.0 2605.8 52.0 o 3 10 1 18185.1 17955.4 218.6 o 5 10 1 63018.3 62495.8 1031.0 o 7 10 1 586.8 468.3 26.3 o 9 10 1 14212.6 14279.3 241.1 o -10 11 1 34452.6 35040.5 589.4 o -8 11 1 12635.5 12614.0 225.5 o -6 11 1 5968.3 5696.8 108.7 o -4 11 1 97682.5 101971.5 2037.0 o -2 11 1 26450.8 26469.4 338.2 o 0 11 1 32998.9 32827.8 402.7 o 2 11 1 84732.5 84939.4 996.3 o 4 11 1 12432.3 11879.9 150.9 o 6 11 1 40875.9 40569.7 630.8 o 8 11 1 32602.5 32986.9 392.9 o 10 11 1 772.8 813.3 32.0 o -11 12 1 21890.1 22293.0 288.7 o -9 12 1 8432.2 8190.9 163.9 o -7 12 1 44188.2 45546.3 838.7 o -5 12 1 7396.5 7228.1 124.3 o -3 12 1 8475.6 8309.1 134.4 o -1 12 1 34738.1 35261.4 487.3 o 1 12 1 2778.3 2721.4 101.7 o 3 12 1 10604.2 10435.7 137.2 o 5 12 1 7561.0 7614.4 120.9 o 7 12 1 3643.6 3594.5 250.6 o 9 12 1 7104.4 7058.3 139.6 o 11 12 1 68.5 70.6 34.7 < -12 13 1 75.0 35.2 23.8 o -10 13 1 167.0 190.3 39.1 o -8 13 1 1359.7 1377.2 70.7 o -6 13 1 1421.3 1362.9 52.8 o -4 13 1 5843.0 5657.7 88.3 o -2 13 1 4827.1 4825.7 87.2 o 0 13 1 116.5 91.6 12.6 o 2 13 1 7641.4 7435.1 122.8 o 4 13 1 1600.1 1513.6 42.2 o 6 13 1 17491.0 17560.9 244.8 o 8 13 1 5670.4 5581.5 90.7 o 10 13 1 644.3 602.3 27.8 o 12 13 1 25287.2 26253.2 342.8 o -13 14 1 5743.5 5844.4 142.4 o -11 14 1 11730.1 12524.7 276.9 o -9 14 1 1578.4 1654.5 74.4 o -7 14 1 10899.0 10686.8 272.3 o -5 14 1 8670.1 9073.9 132.2 o -3 14 1 14095.6 14048.7 175.5 o -1 14 1 25664.9 25233.2 320.8 o 1 14 1 10.8 5.0 16.1 < 3 14 1 27114.5 26790.0 329.7 o 5 14 1 30213.1 29562.3 339.6 o 7 14 1 1094.5 1092.7 46.3 o 9 14 1 18526.5 19308.2 227.4 o 11 14 1 6960.4 7061.1 151.0 o 13 14 1 251.1 208.2 17.9 o -14 15 1 4782.5 5573.3 160.6 o -12 15 1 27.2 10.1 23.9 < -10 15 1 14253.4 14069.3 426.3 o -8 15 1 3978.3 4287.4 183.4 o -6 15 1 5940.7 5946.9 158.8 o -4 15 1 17411.4 17112.5 361.5 o -2 15 1 7387.0 7403.7 118.6 o 0 15 1 9891.9 9634.8 144.0 o 2 15 1 8105.1 7694.4 166.4 o 4 15 1 5500.8 5493.5 106.1 o 6 15 1 244.6 230.6 17.7 o 8 15 1 1023.7 982.9 51.1 o 10 15 1 639.4 636.1 31.2 o 12 15 1 1899.5 1775.4 64.5 o 14 15 1 59.7 29.9 21.9 < -13 16 1 3617.1 3476.4 140.0 o -11 16 1 4182.1 4587.6 109.8 o -9 16 1 141.6 67.6 104.8 < -7 16 1 4771.6 4642.7 105.7 o -5 16 1 3039.6 2964.0 97.4 o -3 16 1 3643.2 3307.9 205.3 o -1 16 1 9.1 4.1 41.0 < 1 16 1 2380.3 2306.6 67.4 o 3 16 1 6458.3 6338.9 158.2 o 5 16 1 4039.6 4102.9 85.5 o 7 16 1 3917.5 3961.3 86.6 o 9 16 1 4400.2 4328.5 106.9 o 11 16 1 1198.2 1258.1 50.6 o 13 16 1 5197.0 5659.0 165.9 o -12 17 1 244.9 160.1 33.7 o -10 17 1 4453.8 4637.4 95.1 o -8 17 1 65.1 47.3 18.4 o -6 17 1 3051.8 2768.7 128.8 o -4 17 1 16179.6 16547.3 523.1 o -2 17 1 561.9 562.0 29.7 o 0 17 1 11011.6 10167.1 264.0 o 2 17 1 9572.5 9423.5 149.2 o 4 17 1 111.1 71.7 19.1 o 6 17 1 15350.3 15176.5 240.4 o 8 17 1 2638.0 2755.1 71.7 o 10 17 1 4121.9 4393.6 92.8 o 12 17 1 9792.5 10029.2 230.7 o -11 18 1 6585.3 7030.8 187.5 o -9 18 1 3974.2 3676.2 148.3 o -7 18 1 13739.9 14201.4 231.2 o -5 18 1 993.7 1067.2 52.4 o -3 18 1 6368.8 5772.8 132.4 o -1 18 1 12036.6 11961.8 210.2 o 1 18 1 2197.8 2123.8 66.9 o 3 18 1 9527.5 9084.6 250.4 o 5 18 1 4863.6 5110.1 117.8 o 7 18 1 1833.8 1814.6 61.2 o 9 18 1 7134.2 6816.8 193.6 o 11 18 1 667.1 812.8 55.3 o -10 19 1 1126.5 1193.3 89.6 o -8 19 1 394.0 411.9 38.7 o -6 19 1 3218.5 3179.7 133.0 o -4 19 1 15.0 39.7 29.2 < -2 19 1 970.5 973.6 71.6 o 0 19 1 852.7 685.2 59.4 o 2 19 1 375.9 341.6 29.5 o 4 19 1 129.7 140.9 19.1 o 6 19 1 3283.2 3411.2 132.9 o 8 19 1 960.1 895.4 58.4 o 10 19 1 225.9 212.8 36.9 o -7 20 1 4246.0 4156.8 148.9 o -5 20 1 893.9 938.9 80.2 o -3 20 1 10270.1 10419.4 242.0 o -1 20 1 12135.4 11651.2 266.9 o 1 20 1 791.6 697.2 61.1 o 3 20 1 18253.3 18281.5 340.5 o 5 20 1 13420.8 13678.8 284.1 o 7 20 1 2058.6 2156.6 114.5 o -4 21 1 11030.1 11047.7 250.9 o -2 21 1 7.3 8.0 38.9 < 0 21 1 14113.3 13903.6 291.5 o 2 21 1 4554.8 4350.6 161.2 o 4 21 1 132.1 119.2 34.0 o 0 0 2 191387.0 195142.8 1964.0 o 1 1 2 27989.9 29508.2 927.0 o 0 2 2 46306.1 48490.2 1440.3 o 2 2 2 2520.1 2397.3 68.9 o -1 3 2 19448.1 19373.8 444.6 o 1 3 2 65681.3 67744.8 2376.9 o 3 3 2 43594.4 42270.0 1196.3 o -2 4 2 5694.8 5384.3 134.3 o 0 4 2 61601.3 66377.6 2363.8 o 2 4 2 12777.3 13147.5 236.4 o 4 4 2 7150.2 6508.6 88.5 o -3 5 2 659.0 769.3 30.0 o -1 5 2 6718.7 7441.6 155.0 o 1 5 2 36142.3 38489.9 714.9 o 3 5 2 6406.8 6011.9 218.2 o 5 5 2 60.0 44.4 8.8 o -4 6 2 7835.7 7283.7 151.5 o -2 6 2 38587.5 40266.3 511.4 o 0 6 2 115627.3 122520.0 3090.9 o 2 6 2 1665.1 1505.3 84.1 o 4 6 2 55464.0 53235.0 1366.0 o 6 6 2 53284.7 51611.8 1142.6 o -5 7 2 46430.9 46688.7 803.1 o -3 7 2 52034.9 53258.5 659.0 o -1 7 2 3048.3 3262.8 72.4 o 1 7 2 55624.1 56761.5 996.6 o 3 7 2 25829.1 25144.7 535.6 o 5 7 2 13791.9 13639.6 245.3 o 7 7 2 25780.6 25952.1 360.6 o -6 8 2 948.0 916.6 60.1 o -4 8 2 12507.5 12395.2 239.3 o -2 8 2 4507.3 4565.4 129.3 o 0 8 2 7928.9 8050.6 128.6 o 2 8 2 3134.3 3011.8 60.1 o 4 8 2 108.1 24.1 71.1 < 6 8 2 14879.9 14739.5 188.8 o 8 8 2 1806.6 1843.9 52.1 o -7 9 2 7961.0 7928.3 132.8 o -5 9 2 14423.1 14312.8 219.1 o -3 9 2 36075.8 36379.2 386.1 o -1 9 2 1246.4 1142.5 57.8 o 1 9 2 72974.3 75276.8 1201.3 o 3 9 2 41094.4 40678.5 574.8 o 5 9 2 5166.7 5340.4 81.2 o 7 9 2 65233.1 64741.0 1247.5 o 9 9 2 28795.1 29266.7 692.8 o -8 10 2 16829.7 16921.3 314.9 o -6 10 2 50777.4 52040.6 1066.7 o -4 10 2 380.2 390.7 17.4 o -2 10 2 34605.3 35344.9 373.0 o 0 10 2 50209.3 51027.8 700.4 o 2 10 2 97.6 81.6 11.6 o 4 10 2 24816.5 24357.9 340.0 o 6 10 2 7245.7 7330.0 101.4 o 8 10 2 140.1 122.5 15.3 o 10 10 2 3220.3 3373.9 64.5 o -9 11 2 11442.8 11757.9 173.5 o -7 11 2 7091.4 7237.3 153.0 o -5 11 2 2403.7 2323.2 98.6 o -3 11 2 5444.7 5502.9 103.1 o -1 11 2 4083.4 4034.3 108.8 o 1 11 2 5408.2 5497.6 122.4 o 3 11 2 519.4 429.8 39.8 o 5 11 2 1163.1 1068.8 35.4 o 7 11 2 10856.3 11088.9 142.0 o 9 11 2 39.9 2.9 19.6 < 11 11 2 5999.3 6018.7 97.5 o -10 12 2 15.8 8.0 28.0 < -8 12 2 6627.5 6679.3 199.1 o -6 12 2 5145.2 5133.7 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