# 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 3 3 0 25710.6 24351.6 1132.8 o 1 4 0 8347.0 8506.5 368.3 o 2 4 0 4960.2 4505.6 219.5 o 3 4 0 6175.9 6474.6 273.0 o 4 4 0 147698.0 163528.6 6504.3 o -2 5 0 1551.4 1478.8 69.5 o -1 5 0 8284.7 8511.6 365.4 o 0 5 0 24.8 17.5 7.1 o 1 5 0 377.4 446.1 18.8 o 2 5 0 1094.2 1225.7 50.3 o 3 5 0 5547.9 5693.7 246.3 o 4 5 0 940.8 1061.4 47.8 o 5 5 0 4035.6 4554.5 181.3 o -3 6 0 25402.9 24420.2 1120.7 o -2 6 0 5042.3 4506.4 222.9 o -1 6 0 390.0 446.2 19.4 o 0 6 0 6992.5 5899.9 308.9 o 1 6 0 416.0 442.7 21.7 o 2 6 0 4072.0 4261.6 180.7 o 3 6 0 181.2 212.7 13.1 o 4 6 0 1108.7 1250.9 51.7 o 5 6 0 3873.0 3557.5 172.9 o 6 6 0 9049.9 8664.7 401.6 o -3 7 0 6202.0 6478.8 274.6 o -2 7 0 1064.1 1225.3 48.5 o -1 7 0 424.4 443.7 21.2 o 0 7 0 854.6 788.0 39.9 o 1 7 0 6547.2 6641.5 290.1 o 2 7 0 799.8 775.6 38.4 o 3 7 0 2587.9 2796.3 116.0 o 4 7 0 284.7 296.2 16.9 o 5 7 0 4669.5 4813.0 208.0 o 6 7 0 986.2 1024.5 47.4 o 7 7 0 4690.2 4399.8 215.0 o -4 8 0 154852.9 164415.2 6818.4 o -3 8 0 5762.8 5693.9 255.6 o -2 8 0 4090.6 4263.3 181.5 o -1 8 0 6477.7 6637.3 286.5 o 0 8 0 13601.1 14453.7 599.9 o 1 8 0 3221.6 3130.0 144.2 o 2 8 0 552.4 499.4 30.0 o 3 8 0 399.6 397.4 24.5 o 4 8 0 978.2 1095.4 46.5 o 5 8 0 1241.6 1177.8 59.2 o 6 8 0 317.5 196.3 24.3 o 7 8 0 1011.1 964.1 50.5 o 8 8 0 14665.9 14282.2 648.5 o -4 9 0 919.1 1060.0 45.5 o -3 9 0 171.2 213.4 14.3 o -2 9 0 869.5 775.1 41.5 o -1 9 0 3282.4 3136.2 146.6 o 0 9 0 345.1 331.6 21.2 o 1 9 0 690.9 727.1 34.9 o 2 9 0 2002.5 1955.6 91.4 o 3 9 0 56.7 75.9 19.8 o 4 9 0 421.7 394.7 29.2 o 5 9 0 89.4 66.7 22.5 o 6 9 0 616.0 548.6 37.1 o 7 9 0 507.7 491.2 35.6 o 8 9 0 346.3 303.9 20.2 o 9 9 0 157.5 182.2 17.4 o -5 10 0 4085.7 4563.6 185.4 o -4 10 0 1119.8 1253.6 52.9 o -3 10 0 2619.4 2800.1 117.8 o -2 10 0 551.3 500.3 29.1 o -1 10 0 697.0 726.0 34.5 o 0 10 0 1235.1 1401.9 58.4 o 1 10 0 3096.8 3198.5 139.4 o 2 10 0 819.0 852.6 42.3 o 3 10 0 1689.1 1690.7 79.5 o 4 10 0 850.1 899.9 50.9 o 5 10 0 162.2 125.8 31.0 o 6 10 0 1429.5 1374.1 73.9 o 7 10 0 239.7 231.0 42.3 o 8 10 0 741.3 683.7 59.9 o 9 10 0 113.6 182.5 51.6 o 10 10 0 2305.4 2175.2 114.5 o -5 11 0 3835.1 3556.4 171.8 o -4 11 0 297.6 295.6 22.3 o -3 11 0 381.3 398.6 24.4 o -2 11 0 2014.6 1955.9 91.3 o -1 11 0 3121.9 3195.5 139.7 o 0 11 0 152.7 193.8 19.8 o 1 11 0 228.7 268.0 22.9 o 2 11 0 1165.3 1225.7 60.2 o 3 11 0 537.2 592.9 37.9 o 4 11 0 1733.8 1601.1 84.0 o 5 11 0 584.8 527.7 42.3 o 6 11 0 10.8 9.5 34.3 < 7 11 0 680.8 535.3 68.7 o 8 11 0 156.4 212.6 57.6 o 9 11 0 260.7 264.2 22.7 o 10 11 0 359.1 418.7 30.0 o 11 11 0 775.4 793.3 56.4 o -6 12 0 8909.5 8680.7 397.1 o -5 12 0 4766.4 4813.1 212.9 o -4 12 0 982.0 1089.2 49.2 o -3 12 0 63.3 75.5 18.1 o -2 12 0 858.8 852.4 44.0 o -1 12 0 240.8 266.8 21.7 o 0 12 0 29401.2 28754.8 1297.0 o 1 12 0 41.0 64.2 27.3 < 2 12 0 766.9 885.4 50.2 o 3 12 0 1951.1 1750.0 93.2 o 4 12 0 429.6 399.9 41.3 o 5 12 0 223.5 100.6 44.5 o 6 12 0 222.0 202.2 71.9 o 7 12 0 325.2 283.3 67.7 o 8 12 0 84.9 96.7 17.8 o 9 12 0 188.1 130.7 22.1 o 10 12 0 50.4 62.7 24.2 o -6 13 0 1043.6 1025.8 51.8 o -5 13 0 1236.9 1179.9 59.8 o -4 13 0 413.5 394.6 29.7 o -3 13 0 1616.7 1688.6 78.0 o -2 13 0 1106.3 1226.7 55.4 o -1 13 0 58.3 64.7 25.3 o 0 13 0 106.5 12.2 27.5 o 1 13 0 335.7 365.3 37.3 o 2 13 0 72.3 59.4 34.8 o 3 13 0 663.7 652.3 45.5 o 4 13 0 588.2 558.2 68.8 o 5 13 0 369.2 265.8 66.5 o 6 13 0 293.6 362.9 78.0 o 7 13 0 413.6 456.3 26.4 o 8 13 0 121.9 33.3 23.1 o 9 13 0 -26.3 6.4 24.7 < -7 14 0 4643.3 4403.7 214.1 o -6 14 0 294.4 196.8 29.5 o -5 14 0 56.9 66.6 28.3 o -4 14 0 882.4 887.2 50.5 o -3 14 0 503.5 593.6 34.4 o -2 14 0 717.5 881.7 45.4 o -1 14 0 355.2 366.1 29.7 o 0 14 0 793.6 711.3 52.0 o 1 14 0 6.6 50.1 36.0 < 2 14 0 1733.9 1734.1 92.6 o 3 14 0 374.0 250.9 72.8 o 4 14 0 -62.8 11.0 77.6 < 5 14 0 825.3 784.5 42.9 o 6 14 0 4.3 19.8 17.2 < 7 14 0 319.2 217.4 25.0 o 8 14 0 7.6 4.1 24.6 < -7 15 0 977.8 965.0 58.2 o -6 15 0 611.3 548.5 42.7 o -5 15 0 145.5 126.6 37.8 o -4 15 0 1760.7 1599.4 90.1 o -3 15 0 1966.6 1750.3 95.0 o -2 15 0 18.6 59.6 32.9 < -1 15 0 128.1 49.8 43.5 o 0 15 0 61.2 2.9 48.3 < 1 15 0 959.5 967.5 67.4 o 2 15 0 1766.7 1656.0 96.3 o 3 15 0 770.0 876.0 84.4 o 4 15 0 237.5 125.6 21.2 o 5 15 0 95.9 115.5 18.0 o 6 15 0 62.0 92.0 20.5 o -8 16 0 14989.5 14291.9 672.5 o -7 16 0 445.1 490.1 43.2 o -6 16 0 1551.9 1377.2 83.1 o -5 16 0 601.5 527.2 56.3 o -4 16 0 423.7 402.3 50.5 o -3 16 0 778.3 652.1 57.1 o -2 16 0 1626.2 1737.3 89.5 o -1 16 0 1017.7 968.5 76.3 o 0 16 0 471.1 589.0 60.3 o 1 16 0 275.7 231.8 70.7 o 2 16 0 157.6 153.1 42.3 o 3 16 0 285.6 271.9 20.9 o 4 16 0 1280.9 1409.6 63.0 o 5 16 0 42.8 8.4 21.8 < -8 17 0 345.6 303.6 41.2 o -7 17 0 261.3 231.0 42.0 o -6 17 0 10.8 9.5 48.1 < -5 17 0 110.4 101.4 41.9 o -4 17 0 539.0 558.5 60.9 o -3 17 0 230.3 252.3 57.6 o -2 17 0 1833.2 1656.9 111.8 o -1 17 0 177.9 233.0 62.6 o 0 17 0 69.6 26.2 81.4 < 1 17 0 119.2 66.6 16.6 o 2 17 0 305.3 293.7 21.8 o 3 17 0 13.4 13.4 18.5 < 4 17 0 62.3 70.8 21.9 o -9 18 0 228.2 180.8 77.1 o -8 18 0 715.9 681.9 61.5 o -7 18 0 576.9 535.3 56.3 o -6 18 0 158.5 203.2 57.6 o -5 18 0 181.6 265.0 61.9 o -4 18 0 138.3 11.3 82.5 < -3 18 0 918.6 877.6 89.5 o -2 18 0 255.0 153.7 85.2 o -1 18 0 -23.6 66.0 62.4 < 0 18 0 -79.7 7.3 67.3 < 1 18 0 44.1 4.5 19.1 o 2 18 0 184.8 144.3 23.4 o -9 19 0 197.9 182.3 74.1 o -8 19 0 34.6 212.3 69.0 < -7 19 0 283.4 282.2 71.6 o -6 19 0 389.9 363.6 72.2 o -5 19 0 696.0 784.2 92.8 o -4 19 0 167.7 125.7 94.4 < -3 19 0 276.4 270.8 84.4 o -2 19 0 132.9 293.6 84.6 < -1 19 0 89.1 4.6 89.7 < 0 19 0 120.3 75.0 27.8 o -10 20 0 1866.6 2175.7 214.9 o -9 20 0 192.4 264.9 105.8 < -8 20 0 87.9 98.2 85.2 < -7 20 0 500.5 456.2 73.3 o -6 20 0 53.6 19.4 78.1 < -5 20 0 147.9 116.4 79.9 < -4 20 0 1163.4 1408.9 110.5 o -3 20 0 25.8 13.1 21.8 < -2 20 0 89.7 144.9 30.5 o -10 21 0 432.6 419.5 36.7 o -9 21 0 231.5 131.4 25.0 o -8 21 0 -2.5 33.2 24.6 < -7 21 0 314.1 217.8 28.9 o -6 21 0 103.2 91.9 29.7 o -5 21 0 -1.3 8.5 25.1 < -4 21 0 59.1 70.8 30.0 < -11 22 0 683.9 796.0 51.2 o -10 22 0 48.5 63.5 24.3 o -9 22 0 -1.9 6.1 32.0 < -8 22 0 -1.0 4.5 36.7 < -5 3 1 20896.5 19986.1 920.2 o 2 3 1 28042.9 26643.8 1235.0 o 3 3 1 12287.4 11830.7 541.5 o -7 4 1 11743.0 11911.4 517.7 o -6 4 1 18870.4 21082.5 831.4 o -5 4 1 8695.4 8563.7 383.5 o -4 4 1 48890.5 56324.3 2151.9 o 0 4 1 70111.1 70324.9 3085.9 o 1 4 1 11904.4 11799.3 524.7 o 2 4 1 33576.1 33955.7 1478.7 o 3 4 1 8595.2 8559.1 379.4 o 4 4 1 22352.7 21355.0 984.7 o -9 5 1 740.5 749.8 35.1 o -8 5 1 4557.1 4595.3 201.7 o -7 5 1 650.1 662.5 30.8 o -6 5 1 2204.9 2349.8 98.6 o -5 5 1 233.4 222.3 13.7 o -4 5 1 8640.7 8552.2 381.1 o -3 5 1 20756.6 20000.3 914.2 o -2 5 1 28216.5 26722.7 1242.4 o -1 5 1 12063.7 11803.2 531.7 o 0 5 1 183.6 181.9 14.5 o 1 5 1 1323.7 1450.1 60.0 o 2 5 1 642.7 679.1 30.9 o 3 5 1 4376.3 4298.3 194.0 o 4 5 1 807.2 759.8 37.7 o 5 5 1 4030.9 4071.5 179.2 o -11 6 1 8201.1 8240.5 362.4 o -10 6 1 4148.2 4285.8 184.1 o -9 6 1 640.0 659.1 30.8 o -8 6 1 3707.4 3694.1 165.6 o -7 6 1 1730.6 1682.0 78.5 o -6 6 1 15137.0 14380.5 667.2 o -5 6 1 2246.7 2350.3 100.2 o -4 6 1 18782.5 21108.5 827.4 o -3 6 1 12127.3 11832.6 534.9 o -2 6 1 33498.3 34083.4 1474.8 o -1 6 1 1309.9 1452.5 59.3 o 0 6 1 16149.9 15785.7 711.8 o 1 6 1 1307.1 1209.3 59.2 o 2 6 1 4072.4 4009.9 180.9 o 3 6 1 554.6 542.3 27.9 o 4 6 1 6376.2 6587.9 282.0 o 5 6 1 5261.7 5038.4 233.6 o 6 6 1 658.2 690.4 33.5 o -13 7 1 161.7 156.0 21.3 o -12 7 1 705.1 800.0 34.6 o -11 7 1 1506.8 1452.6 68.9 o -10 7 1 3694.1 3865.4 165.4 o -9 7 1 1901.5 1970.3 86.4 o -8 7 1 9601.8 9726.8 424.9 o -7 7 1 2147.3 2217.0 96.1 o -6 7 1 1783.5 1682.4 80.4 o -5 7 1 658.2 662.6 31.1 o -4 7 1 12103.0 11919.0 533.8 o -3 7 1 8452.6 8560.2 373.4 o -2 7 1 638.7 679.1 29.9 o -1 7 1 1301.8 1209.0 59.3 o 0 7 1 3524.8 3509.2 156.7 o 1 7 1 12404.6 12258.7 547.3 o 2 7 1 2129.6 2080.3 96.0 o 3 7 1 2461.5 2499.7 110.8 o 4 7 1 1601.8 1555.3 73.0 o 5 7 1 589.8 586.1 29.8 o 6 7 1 266.0 242.9 20.0 o 7 7 1 149.5 104.9 21.0 o -15 8 1 1898.8 1887.3 88.0 o -14 8 1 2764.4 2629.1 125.4 o -13 8 1 741.9 744.7 38.4 o -12 8 1 9202.0 8828.5 406.7 o -11 8 1 1871.4 1899.7 85.2 o -10 8 1 614.8 629.1 31.7 o -9 8 1 6028.4 6145.3 267.6 o -8 8 1 21521.8 20373.3 948.6 o -7 8 1 9673.0 9730.3 427.1 o -6 8 1 3667.1 3698.6 163.1 o -5 8 1 4616.7 4596.6 205.0 o -4 8 1 22200.1 21377.0 978.7 o -3 8 1 4361.9 4297.8 193.7 o -2 8 1 4210.8 4011.7 186.6 o -1 8 1 12309.7 12266.1 543.1 o 0 8 1 19153.1 18129.9 844.3 o 1 8 1 3873.9 3901.4 173.0 o 2 8 1 465.5 459.7 24.6 o 3 8 1 1626.5 1751.6 74.8 o 4 8 1 14903.1 14057.6 657.5 o 5 8 1 722.6 729.8 35.6 o 6 8 1 4205.3 4064.0 187.3 o 7 8 1 1507.5 1448.1 70.6 o 8 8 1 1024.0 1102.2 51.9 o -17 9 1 315.1 263.5 32.0 o -16 9 1 1762.7 1876.3 85.1 o -15 9 1 690.7 635.5 44.1 o -14 9 1 74.8 147.7 21.8 o -13 9 1 603.4 620.2 31.3 o -12 9 1 4293.1 4232.2 191.5 o -11 9 1 511.4 567.4 29.8 o -10 9 1 278.4 285.2 21.7 o -9 9 1 1805.1 1837.2 82.0 o -8 9 1 6141.7 6147.0 272.0 o -7 9 1 1955.3 1970.4 88.4 o -6 9 1 652.8 658.9 33.2 o -5 9 1 715.2 750.9 35.4 o -4 9 1 759.0 759.7 37.2 o -3 9 1 558.1 542.3 28.6 o -2 9 1 2096.6 2082.4 94.5 o -1 9 1 3860.3 3904.7 171.8 o 0 9 1 2195.2 2303.3 99.0 o 1 9 1 286.7 301.3 20.9 o 2 9 1 683.0 786.7 36.8 o 3 9 1 2622.9 2622.4 119.1 o 4 9 1 495.1 536.2 28.3 o 5 9 1 140.6 223.5 16.8 o 6 9 1 835.2 846.5 44.2 o 7 9 1 1588.6 1496.3 74.8 o 8 9 1 228.7 246.8 27.5 o 9 9 1 190.4 278.8 29.9 o -19 10 1 167.2 159.2 63.3 o -18 10 1 555.6 608.9 54.8 o -17 10 1 175.0 139.6 43.0 o -16 10 1 1236.3 1277.9 65.0 o -15 10 1 746.1 760.6 45.8 o -14 10 1 1809.8 1662.6 84.3 o -13 10 1 1889.7 1938.7 87.0 o -12 10 1 7777.4 7400.4 344.9 o -11 10 1 825.4 750.3 42.8 o -10 10 1 6196.7 6619.0 274.8 o -9 10 1 280.8 285.2 17.2 o -8 10 1 643.6 632.2 32.1 o -7 10 1 3802.7 3866.9 169.9 o -6 10 1 3998.2 4284.7 178.1 o -5 10 1 3953.1 4068.4 176.3 o -4 10 1 6458.9 6587.0 286.1 o -3 10 1 2367.9 2501.4 106.6 o -2 10 1 442.1 457.2 23.6 o -1 10 1 302.7 301.3 19.8 o 0 10 1 4033.6 4523.1 180.1 o 1 10 1 660.0 684.2 35.5 o 2 10 1 8426.7 8113.5 373.8 o 3 10 1 1464.1 1563.1 70.7 o 4 10 1 1941.1 1827.6 92.5 o 5 10 1 594.0 538.4 39.4 o 6 10 1 1965.0 1845.3 94.6 o 7 10 1 77.6 191.3 39.1 < 8 10 1 537.1 491.7 46.8 o 9 10 1 193.4 112.0 41.6 o 10 10 1 646.9 561.0 38.5 o -21 11 1 64.5 77.7 22.2 o -20 11 1 27.3 73.6 18.7 < -19 11 1 69.3 109.4 45.5 < -18 11 1 420.4 373.6 46.4 o -17 11 1 26.8 71.8 45.7 < -16 11 1 852.8 855.7 52.3 o -15 11 1 423.7 396.7 35.2 o -14 11 1 197.9 193.1 25.2 o -13 11 1 864.6 885.8 47.1 o -12 11 1 2860.9 2948.3 129.6 o -11 11 1 1023.6 1015.2 50.5 o -10 11 1 750.4 751.9 37.7 o -9 11 1 452.1 569.0 25.5 o -8 11 1 1866.7 1900.7 85.5 o -7 11 1 1546.4 1451.2 71.5 o -6 11 1 8695.5 8244.9 385.2 o -5 11 1 4882.5 5043.5 217.3 o -4 11 1 1689.6 1555.0 78.2 o -3 11 1 1602.1 1750.8 74.1 o -2 11 1 697.0 787.6 35.2 o -1 11 1 679.0 684.4 35.5 o 0 11 1 1440.9 1366.6 68.3 o 1 11 1 2714.8 2684.4 123.8 o 2 11 1 1330.0 1244.7 70.7 o 3 11 1 330.3 294.0 35.5 o 4 11 1 555.5 588.3 40.7 o 5 11 1 1055.2 1162.0 59.7 o 6 11 1 55.4 95.8 40.9 < 7 11 1 482.3 584.3 65.2 o 8 11 1 223.5 100.5 63.0 o 9 11 1 64.3 53.3 17.7 o 10 11 1 105.3 57.6 22.5 o 11 11 1 64.8 12.4 23.7 o -22 12 1 272.5 233.1 28.8 o -21 12 1 73.2 82.0 21.4 o -20 12 1 299.0 271.7 23.3 o -19 12 1 281.8 185.1 67.3 o -18 12 1 190.8 226.4 69.5 o -17 12 1 78.0 44.7 39.6 < -16 12 1 2325.5 2416.1 110.3 o -15 12 1 106.9 104.2 28.4 o -14 12 1 337.8 402.3 32.6 o -13 12 1 831.3 877.2 45.7 o -12 12 1 2910.9 2643.7 133.9 o -11 12 1 2990.6 2949.2 135.2 o -10 12 1 7785.7 7400.6 345.0 o -9 12 1 4415.0 4233.6 197.1 o -8 12 1 8934.5 8842.1 395.6 o -7 12 1 767.5 800.7 40.3 o -6 12 1 679.0 681.0 34.9 o -5 12 1 535.0 589.0 30.3 o -4 12 1 15459.0 14074.0 682.8 o -3 12 1 2596.7 2623.5 118.0 o -2 12 1 8483.2 8112.2 375.4 o -1 12 1 2670.9 2686.3 121.6 o 0 12 1 2937.5 2968.7 134.6 o 1 12 1 1248.7 1294.7 64.1 o 2 12 1 290.7 301.3 40.4 o 3 12 1 126.6 109.6 33.9 o 4 12 1 1568.3 1486.6 78.3 o 5 12 1 57.5 27.3 46.3 < 6 12 1 308.4 292.8 57.1 o 7 12 1 144.8 149.1 45.3 o 8 12 1 431.8 423.9 28.3 o 9 12 1 160.4 107.7 23.6 o 10 12 1 365.7 324.9 31.8 o -22 13 1 -14.3 31.6 23.8 < -21 13 1 136.6 136.9 24.0 o -20 13 1 393.3 401.9 25.6 o -19 13 1 219.4 136.8 82.7 o -18 13 1 147.2 160.3 67.3 o -17 13 1 23.7 65.6 56.7 < -16 13 1 231.5 275.5 37.3 o -15 13 1 197.2 167.5 27.8 o -14 13 1 471.7 504.0 34.7 o -13 13 1 181.0 128.3 26.0 o -12 13 1 844.5 878.2 46.1 o -11 13 1 876.1 887.2 46.8 o -10 13 1 1814.9 1940.3 85.4 o -9 13 1 667.3 620.6 37.1 o -8 13 1 747.5 743.6 40.1 o -7 13 1 97.4 155.2 21.9 o -6 13 1 255.8 242.8 22.7 o -5 13 1 770.2 728.1 42.1 o -4 13 1 504.5 537.2 34.0 o -3 13 1 1477.0 1560.9 72.4 o -2 13 1 1304.2 1244.5 62.9 o -1 13 1 1318.5 1295.6 65.4 o 0 13 1 216.1 201.1 32.6 o 1 13 1 700.1 695.0 50.6 o 2 13 1 346.8 271.0 46.2 o 3 13 1 258.6 183.0 41.5 o 4 13 1 57.5 70.4 66.4 < 5 13 1 325.2 239.5 59.5 o 6 13 1 234.4 205.9 68.8 o 7 13 1 222.5 269.7 21.1 o 8 13 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