data_I # 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 4 0 0 12437.2 8048.4 400.1 o 6 0 0 345093.0 321684.8 10367.5 o 8 0 0 77.7 0.9 72.0 < 10 0 0 11588.3 10805.2 428.7 o 12 0 0 2328.3 1949.7 170.6 o 14 0 0 523.2 330.2 169.9 o 1 1 0 45.0 47.3 13.5 o 2 1 0 58527.8 50863.4 1759.0 o 3 1 0 251.6 220.6 41.8 o 4 1 0 188818.9 182229.4 5669.7 o 5 1 0 15787.5 13822.9 484.6 o 6 1 0 203.7 117.8 51.4 o 7 1 0 3637.0 2994.3 145.7 o 8 1 0 6939.5 6307.1 243.7 o 9 1 0 209.2 213.5 64.1 o 10 1 0 4561.0 5292.7 187.6 o 11 1 0 4477.2 4723.6 185.5 o 12 1 0 24434.7 23395.3 764.3 o 13 1 0 253.3 225.5 78.9 o 14 1 0 5366.0 5363.6 244.7 o 15 1 0 536.9 772.7 111.9 o 0 2 0 963846.0 1014815.1 29038.0 o 1 2 0 55392.8 54611.6 1666.5 o 2 2 0 2148.2 2401.4 83.8 o 3 2 0 44867.6 45130.9 1351.8 o 4 2 0 81.8 41.1 28.5 < 5 2 0 3512.4 3727.9 129.5 o 6 2 0 60042.8 61083.7 1810.6 o 7 2 0 7449.8 7374.0 249.6 o 8 2 0 4111.8 4500.9 165.0 o 9 2 0 18543.5 17582.6 583.4 o 10 2 0 80782.7 77398.3 2441.1 o 11 2 0 2526.3 2631.2 130.6 o 12 2 0 392.6 225.7 89.5 o 13 2 0 244.8 415.6 67.0 o 14 2 0 450.1 556.2 91.1 o 1 3 0 77922.5 72678.4 2344.1 o 2 3 0 281.2 24.9 41.6 o 3 3 0 264.3 142.3 47.7 o 4 3 0 1032.4 1184.6 68.6 o 5 3 0 24482.9 21708.2 748.6 o 6 3 0 39867.3 40779.1 1206.3 o 7 3 0 2141.3 1513.3 111.3 o 8 3 0 163.0 136.1 57.9 < 9 3 0 18572.4 18690.9 586.1 o 10 3 0 34156.0 33495.9 1049.9 o 11 3 0 740.8 538.2 96.1 o 12 3 0 38666.7 37353.3 1186.5 o 13 3 0 478.9 420.5 93.9 o 14 3 0 2822.5 2883.7 182.5 o 0 4 0 131358.2 129267.4 3959.1 o 1 4 0 13493.1 12043.5 420.8 o 2 4 0 247.6 150.8 47.7 o 3 4 0 24296.0 23881.2 748.1 o 4 4 0 448.8 395.7 62.7 o 5 4 0 5274.7 5262.7 191.7 o 6 4 0 18346.0 19354.5 573.5 o 7 4 0 3718.5 3664.4 157.2 o 8 4 0 23487.9 23170.3 731.5 o 9 4 0 17122.8 16845.5 544.6 o 10 4 0 39773.5 38307.0 1224.0 o 11 4 0 1220.6 1345.5 137.5 o 12 4 0 182.3 9.4 102.0 < 13 4 0 487.0 574.9 126.5 o 1 5 0 27272.2 27941.8 837.8 o 2 5 0 12556.4 13493.9 399.8 o 3 5 0 4601.1 4694.8 177.7 o 4 5 0 13460.0 14457.8 432.0 o 5 5 0 582.6 231.5 90.9 o 6 5 0 26931.7 27626.6 842.2 o 7 5 0 9807.1 9559.8 348.4 o 8 5 0 5986.8 5602.4 237.8 o 9 5 0 644.2 908.5 104.9 o 10 5 0 9131.9 9638.3 340.0 o 11 5 0 183.9 117.0 90.0 < 12 5 0 36666.2 35290.8 1159.1 o 0 6 0 20093.2 20784.8 647.0 o 1 6 0 198.9 58.8 62.9 o 2 6 0 2969.4 3252.0 144.3 o 3 6 0 2919.1 2723.8 153.9 o 4 6 0 919.2 801.2 102.5 o 5 6 0 7737.1 7708.9 294.4 o 6 6 0 17323.4 17083.0 576.1 o 7 6 0 4323.1 4083.9 210.2 o 8 6 0 23917.3 23812.4 765.9 o 9 6 0 29254.0 28425.3 932.8 o 10 6 0 42334.8 39080.4 1336.2 o 1 7 0 15761.0 15839.8 529.3 o 2 7 0 5825.4 6338.0 249.5 o 3 7 0 17076.3 17170.3 560.6 o 4 7 0 1363.7 1674.4 109.7 o 5 7 0 833.6 824.2 109.0 o 6 7 0 16316.7 16568.4 537.3 o 7 7 0 32188.5 31231.0 1011.3 o 8 7 0 352.5 424.6 138.3 < 0 8 0 20217.1 18107.6 745.9 o 1 8 0 6409.5 6107.5 296.6 o 2 8 0 3399.2 2992.7 222.5 o 3 8 0 2996.1 3383.3 231.4 o -15 0 1 79012.1 74507.6 2443.1 o -13 0 1 62.9 27.0 85.3 < -11 0 1 6309.0 6666.5 267.5 o -9 0 1 47809.8 52625.0 1482.6 o -7 0 1 191710.0 185371.5 5782.6 o -5 0 1 1186.1 793.8 102.9 o -3 0 1 53343.2 47187.0 1608.4 o 3 0 1 25511.4 22481.9 779.1 o 5 0 1 299.8 183.6 86.4 o 7 0 1 119109.8 114006.4 3594.8 o 9 0 1 47557.6 46447.9 1476.2 o 11 0 1 1459.3 744.7 166.2 o 13 0 1 439.6 465.4 131.5 o 15 0 1 271.3 205.7 130.9 < -15 1 1 7769.3 7443.6 312.8 o -14 1 1 188.7 75.4 78.6 < -13 1 1 14738.5 13792.8 491.2 o -12 1 1 5267.3 5150.9 219.0 o -11 1 1 302.4 295.9 80.5 o -10 1 1 211.3 253.6 63.3 o -9 1 1 32305.7 28801.2 989.0 o -8 1 1 1597.0 1276.6 107.0 o -7 1 1 465.8 505.5 68.1 o -6 1 1 70.3 46.7 38.3 < -5 1 1 80309.5 79935.8 2415.5 o -4 1 1 19870.2 20427.2 604.5 o -3 1 1 939448.1 1024554.4 28229.4 o -2 1 1 8735.5 8438.3 267.5 o -1 1 1 121.3 11.9 14.2 o 0 1 1 3806.6 3794.8 119.6 o 1 1 1 342761.7 329762.2 10381.7 o 2 1 1 1999.8 2194.8 72.7 o 3 1 1 96647.9 91937.4 2903.8 o 4 1 1 954.3 722.6 63.7 o 5 1 1 1769.3 1467.3 89.5 o 6 1 1 456.4 412.6 69.1 o 7 1 1 279413.4 269358.8 8391.2 o 8 1 1 173.3 7.1 64.0 < 9 1 1 12034.5 10432.5 394.5 o 10 1 1 4490.3 4598.9 187.3 o 11 1 1 168.6 115.2 71.2 < 12 1 1 3636.0 3650.0 179.3 o 13 1 1 3125.8 2876.6 176.6 o 14 1 1 806.2 900.2 126.0 o 15 1 1 136.7 202.7 106.4 < -14 2 1 665.1 995.2 97.2 o -13 2 1 234.3 131.4 72.0 o -12 2 1 142.7 55.4 68.9 < -11 2 1 123.7 75.9 57.5 < -10 2 1 1629.0 2062.7 101.6 o -9 2 1 106763.3 110092.8 3216.5 o -8 2 1 1141.9 1096.1 92.8 o -7 2 1 38499.5 37482.0 1168.3 o -6 2 1 2472.4 2314.4 107.3 o -5 2 1 1826.5 2180.1 83.7 o -4 2 1 77803.9 73598.1 2338.7 o -3 2 1 141939.0 133702.7 4262.1 o -2 2 1 10318.0 12115.4 316.2 o -1 2 1 680.8 354.8 48.1 o 0 2 1 262.8 354.7 36.7 o 1 2 1 17745.4 12760.5 541.6 o 2 2 1 153426.8 136125.0 4608.1 o 3 2 1 13996.3 15814.2 429.7 o 4 2 1 46991.6 41537.8 1418.1 o 5 2 1 7481.0 6984.9 246.9 o 6 2 1 20489.3 19821.9 630.6 o 7 2 1 35326.9 35589.4 1077.8 o 8 2 1 18242.7 17607.0 573.6 o 9 2 1 42598.5 40990.3 1299.0 o 10 2 1 1354.5 1476.0 115.6 o 11 2 1 958.6 765.0 103.3 o 12 2 1 309.1 291.8 86.9 o 13 2 1 11114.6 11208.6 394.2 o 14 2 1 5324.2 5092.0 229.9 o -14 3 1 504.0 551.7 109.5 o -13 3 1 23367.0 21909.2 741.4 o -12 3 1 706.3 754.8 81.2 o -11 3 1 2259.8 2352.6 132.1 o -10 3 1 13290.4 13729.2 427.6 o -9 3 1 31006.8 29315.5 950.9 o -8 3 1 10639.9 11331.4 346.3 o -7 3 1 10996.2 10686.9 353.6 o -6 3 1 1373.5 1432.1 82.7 o -5 3 1 5715.3 6982.4 189.9 o -4 3 1 8350.2 8042.4 261.4 o -3 3 1 76074.4 76483.7 2287.2 o -2 3 1 145461.7 138585.8 4369.3 o -1 3 1 18951.0 16043.8 576.7 o 0 3 1 40458.3 37911.2 1220.9 o 1 3 1 5881.6 6549.9 194.4 o 2 3 1 9645.7 9263.9 306.5 o 3 3 1 22359.3 20176.1 682.2 o 4 3 1 3956.7 3737.7 146.3 o 5 3 1 11238.7 11778.9 358.5 o 6 3 1 49364.1 47329.4 1496.8 o 7 3 1 89868.6 90360.1 2709.4 o 8 3 1 20037.2 20462.5 628.8 o 9 3 1 6485.4 7013.8 244.2 o 10 3 1 15026.8 15174.2 487.2 o 11 3 1 14356.3 14434.9 471.1 o 12 3 1 5188.1 5424.4 211.8 o 13 3 1 8075.6 7372.2 300.9 o 14 3 1 2043.9 2288.2 156.4 o -13 4 1 3474.9 3275.5 209.2 o -12 4 1 92.5 7.5 74.1 < -11 4 1 6052.7 5910.6 249.8 o -10 4 1 3040.1 3312.0 168.0 o -9 4 1 19437.9 19618.6 617.8 o -8 4 1 4512.6 4915.9 172.6 o -7 4 1 23198.5 23770.9 714.9 o -6 4 1 5160.8 5022.0 181.9 o -5 4 1 7552.2 7632.3 250.3 o -4 4 1 24449.2 24281.6 745.0 o -3 4 1 20680.2 21313.2 632.9 o -2 4 1 19430.7 20211.3 593.7 o -1 4 1 20500.2 21772.8 630.6 o 0 4 1 5131.4 5476.1 179.1 o 1 4 1 6954.1 6960.1 229.6 o 2 4 1 50671.5 48987.3 1533.5 o 3 4 1 3115.8 2656.9 142.8 o 4 4 1 8018.7 7531.9 274.4 o 5 4 1 121.4 42.7 58.2 < 6 4 1 27890.1 28074.9 865.0 o 7 4 1 41692.4 41329.9 1276.6 o 8 4 1 107.9 26.8 56.8 < 9 4 1 28166.4 28344.6 874.6 o 10 4 1 1113.2 1123.1 107.6 o 11 4 1 3864.9 3648.4 184.9 o 12 4 1 192.7 162.8 85.8 < 13 4 1 12944.5 13012.0 478.1 o -12 5 1 6726.9 7112.9 298.2 o -11 5 1 5218.2 5486.6 243.8 o -10 5 1 1051.3 1320.6 126.6 o -9 5 1 34274.4 34631.2 1064.8 o -8 5 1 528.3 597.2 98.0 o -7 5 1 4595.6 5315.1 188.5 o -6 5 1 896.1 893.2 92.8 o -5 5 1 2401.6 2690.7 131.5 o -4 5 1 5196.5 5029.4 203.9 o -3 5 1 78501.0 78058.9 2368.2 o -2 5 1 3866.5 3571.1 150.6 o -1 5 1 2268.8 2435.6 113.2 o 0 5 1 1390.9 1312.6 87.8 o 1 5 1 3380.7 3571.2 145.5 o 2 5 1 701.4 671.3 86.0 o 3 5 1 1161.0 1037.0 109.1 o 4 5 1 1457.9 1265.8 108.9 o 5 5 1 8347.8 9169.9 296.2 o 6 5 1 169.8 70.5 64.0 < 7 5 1 29421.4 28906.4 911.8 o 8 5 1 3376.8 3330.3 179.5 o 9 5 1 2531.4 2882.2 150.5 o 10 5 1 18594.9 19260.2 613.3 o 11 5 1 549.0 575.1 108.3 o 12 5 1 428.5 495.4 124.2 o -10 6 1 4245.4 4161.0 242.4 o -9 6 1 5613.4 5734.5 265.2 o -8 6 1 2069.9 2037.0 164.7 o -7 6 1 4570.8 4718.6 216.6 o -6 6 1 17390.2 16247.0 567.9 o -5 6 1 47291.3 46489.9 1448.4 o -4 6 1 9702.0 9421.4 339.6 o -3 6 1 6716.3 6402.8 246.4 o -2 6 1 9049.1 9557.0 308.2 o -1 6 1 22281.7 22886.1 698.7 o 0 6 1 44214.3 44915.4 1352.1 o 1 6 1 24425.2 25928.5 756.2 o 2 6 1 4520.7 4881.8 177.9 o 3 6 1 15665.5 15774.7 509.1 o 4 6 1 10844.0 10360.8 369.8 o 5 6 1 8221.6 7798.1 311.4 o 6 6 1 3332.2 3663.9 190.3 o 7 6 1 24402.8 23683.4 786.5 o 8 6 1 10593.5 10886.0 408.6 o 9 6 1 26018.2 26716.0 839.3 o 10 6 1 198.7 141.2 94.3 < -8 7 1 12367.6 12536.9 447.3 o -7 7 1 1548.3 1389.5 143.1 o -6 7 1 262.9 238.8 79.3 o -5 7 1 1105.0 1140.5 118.3 o -4 7 1 5384.7 5245.1 222.6 o -3 7 1 24866.6 24305.6 780.5 o -2 7 1 8246.0 7924.7 305.5 o -1 7 1 109.4 12.5 74.4 < 0 7 1 1175.6 1155.5 125.6 o 1 7 1 1173.7 1037.9 136.5 o 2 7 1 743.3 680.3 111.9 o 3 7 1 163.3 118.5 84.5 < 4 7 1 90.3 129.5 87.8 < 5 7 1 165.3 87.1 70.9 < 6 7 1 6799.9 6212.8 268.4 o 7 7 1 18963.0 17194.3 633.0 o -3 8 1 284.1 243.5 122.2 < -2 8 1 1786.2 1702.6 179.5 o -1 8 1 5779.0 5775.4 276.3 o 0 8 1 44043.5 41899.0 1395.4 o 1 8 1 5513.8 5845.8 274.9 o 2 8 1 1326.8 1236.7 195.8 o 3 8 1 32.3 20.7 98.1 < -14 0 2 2456.3 2445.8 206.0 o -12 0 2 1923.5 1666.8 191.5 o -10 0 2 3097.6 2704.9 182.8 o -8 0 2 85475.0 81210.6 2597.9 o -6 0 2 62799.6 64900.6 1907.1 o -4 0 2 11344.6 14616.2 370.5 o -2 0 2 353040.0 342314.8 10644.9 o 2 0 2 63501.0 68072.6 1913.5 o 4 0 2 700474.4 675306.4 21142.5 o 6 0 2 28562.1 26157.7 899.8 o 8 0 2 18973.8 20112.0 659.5 o 10 0 2 262.9 199.4 133.7 < 12 0 2 3154.4 2813.7 258.4 o 14 0 2 161.6 11.5 111.8 < -15 1 2 2548.8 2736.8 172.1 o -14 1 2 22286.4 21495.2 712.6 o -13 1 2 196.0 262.7 80.6 < -12 1 2 28516.5 30032.3 892.6 o -11 1 2 18500.4 18329.9 586.4 o -10 1 2 17547.1 16154.0 555.7 o -9 1 2 7577.4 7793.2 267.8 o -8 1 2 52826.2 54903.3 1598.6 o -7 1 2 2108.8 2344.8 104.2 o -6 1 2 25626.1 26843.8 780.6 o -5 1 2 327.5 175.3 50.2 o -4 1 2 13671.2 14655.2 419.4 o -3 1 2 54.5 108.6 24.3 < -2 1 2 7474.4 6947.8 231.7 o -1 1 2 12778.5 12130.0 389.9 o 0 1 2 88635.1 75305.9 2665.1 o 1 1 2 4748.3 4374.9 152.8 o 2 1 2 8578.8 9156.8 267.1 o 3 1 2 4434.9 4973.6 151.8 o 4 1 2 250.9 70.7 44.5 o 5 1 2 14952.5 13518.1 461.9 o 6 1 2 50288.5 52365.8 1525.0 o 7 1 2 405.3 141.1 85.8 o 8 1 2 10949.7 9130.0 372.2 o 9 1 2 8257.8 8520.6 307.0 o 10 1 2 14434.4 14116.9 479.7 o 11 1 2 2767.4 2682.7 154.9 o 12 1 2 634.7 669.3 99.0 o 13 1 2 129.5 156.7 60.4 < 14 1 2 4976.1 4469.7 239.4 o 15 1 2 71.8 0.0 81.8 < -14 2 2 729.7 582.8 105.6 o -13 2 2 8569.1 8746.9 311.3 o -12 2 2 10566.2 9820.7 356.9 o -11 2 2 2585.9 2531.0 122.3 o -10 2 2 8412.4 8766.0 293.4 o -9 2 2 4438.1 4490.3 175.3 o -8 2 2 58225.9 56427.9 1760.7 o -7 2 2 17880.7 16987.9 554.1 o -6 2 2 73463.3 74292.6 2212.9 o -5 2 2 477.2 322.6 44.8 o -4 2 2 53227.8 52682.7 1602.2 o -3 2 2 43554.1 38237.9 1309.7 o -2 2 2 184.9 10.7 22.4 o -1 2 2 1101.4 709.0 52.3 o 0 2 2 32598.4 31984.2 983.1 o 1 2 2 36526.3 35266.4 1104.6 o 2 2 2 90163.3 87284.3 2711.7 o 3 2 2 13899.5 14490.2 430.3 o 4 2 2 22125.9 24134.0 673.9 o 5 2 2 26222.3 25021.4 798.2 o 6 2 2 3342.6 3034.0 139.8 o 7 2 2 27127.1 26257.6 835.4 o 8 2 2 122454.2 122567.5 3690.4 o 9 2 2 19313.9 19932.4 613.6 o 10 2 2 3647.8 3986.8 171.2 o 11 2 2 5898.3 6568.7 241.0 o 12 2 2 2254.6 2001.2 149.6 o 13 2 2 1350.9 1382.9 137.6 o 14 2 2 20057.8 18496.1 652.7 o -14 3 2 6785.0 6257.5 294.9 o -13 3 2 2077.9 2059.1 139.4 o -12 3 2 5113.4 5431.1 205.7 o -11 3 2 1877.8 2057.6 110.2 o -10 3 2 8200.4 8398.5 281.5 o -9 3 2 21377.5 21001.5 663.7 o -8 3 2 24082.6 23817.0 741.9 o -7 3 2 1797.9 2040.0 93.8 o -6 3 2 3676.3 3521.5 136.0 o -5 3 2 29676.5 29130.9 899.1 o -4 3 2 481.6 216.4 49.0 o -3 3 2 42954.7 41430.9 1293.8 o -2 3 2 19379.6 19686.7 587.5 o -1 3 2 19187.1 19754.2 582.7 o 0 3 2 3105.1 4089.1 115.6 o 1 3 2 266.8 88.1 45.4 o 2 3 2 14680.5 14376.3 453.4 o 3 3 2 19136.6 17788.3 587.9 o 4 3 2 99660.4 98712.4 3002.0 o 5 3 2 54927.3 51389.7 1657.2 o 6 3 2 3828.8 4003.0 172.7 o 7 3 2 18075.5 17594.1 566.8 o 8 3 2 10583.3 10320.8 355.5 o 9 3 2 501.1 497.8 92.6 o 10 3 2 52528.5 52905.2 1599.3 o 11 3 2 346.9 230.1 77.7 o 12 3 2 2036.6 2449.5 123.9 o 13 3 2 1065.3 1020.2 128.0 o 14 3 2 18343.0 17035.6 599.8 o -13 4 2 362.4 378.0 98.6 o -12 4 2 1190.2 1004.6 126.9 o -11 4 2 638.6 662.1 103.4 o -10 4 2 233.2 118.5 77.7 o -9 4 2 2069.8 2428.3 132.5 o -8 4 2 23337.5 24643.0 725.4 o -7 4 2 59.9 17.8 38.5 < -6 4 2 34082.5 33237.8 1033.7 o -5 4 2 914.8 1160.3 62.5 o -4 4 2 5337.6 4909.7 178.2 o -3 4 2 18213.7 18057.0 556.2 o -2 4 2 31697.0 32535.3 960.2 o -1 4 2 19386.5 19811.2 595.3 o 0 4 2 108.3 42.8 38.4 < 1 4 2 47592.8 47551.1 1439.7 o 2 4 2 38295.2 36650.4 1164.2 o 3 4 2 9219.7 9576.3 300.6 o 4 4 2 4487.7 5304.3 179.0 o 5 4 2 10600.6 11036.7 357.4 o 6 4 2 1164.8 1083.5 105.7 o 7 4 2 41010.7 40684.3 1262.3 o 8 4 2 25419.9 25486.7 792.7 o 9 4 2 9359.6 9659.2 327.8 o 10 4 2 7768.9 8489.3 281.1 o 11 4 2 4836.3 5458.4 204.0 o 12 4 2 3629.0 3822.9 183.9 o 13 4 2 573.4 452.0 120.9 o -12 5 2 1216.7 1419.9 131.0 o -11 5 2 2897.1 2916.0 177.4 o -10 5 2 237.8 88.0 88.3 < -9 5 2 5423.3 5566.9 230.6 o -8 5 2 19900.1 20104.5 635.5 o -7 5 2 2149.6 2153.0 122.7 o -6 5 2 6800.0 7160.0 253.6 o -5 5 2 12333.7 11984.1 407.8 o -4 5 2 1163.4 1228.6 93.0 o -3 5 2 1798.1 2147.4 111.1 o -2 5 2 31898.8 31874.0 979.2 o -1 5 2 7547.0 8006.1 256.0 o 0 5 2 51057.2 49630.5 1547.5 o 1 5 2 27100.2 26500.2 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