# 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 12 0 0 8490.8 7022.9 378.1 o 14 0 0 1567.8 1456.5 76.5 o 16 0 0 23463.4 23713.1 1039.6 o 18 0 0 1057.6 1137.8 56.9 o 20 0 0 898.9 825.7 51.6 o 22 0 0 392.2 405.9 35.1 o 24 0 0 47824.9 46761.4 2115.9 o 26 0 0 149.1 119.4 34.3 o 28 0 0 672.4 664.5 48.5 o 30 0 0 89.8 133.6 24.2 o 32 0 0 1476.7 1576.5 83.3 o 34 0 0 0.8 3.4 26.8 < 36 0 0 -67.8 32.0 32.8 < 38 0 0 301.3 108.7 43.7 o -39 1 0 19.1 73.8 41.7 < -37 1 0 74.4 24.4 47.8 < -35 1 0 398.3 366.9 41.4 o -33 1 0 -47.5 39.8 38.2 < -31 1 0 2703.1 2329.3 136.4 o -29 1 0 48.2 13.2 21.7 o -27 1 0 309.3 401.7 35.4 o -25 1 0 73.8 23.3 41.6 < -23 1 0 999.9 1051.7 62.5 o -21 1 0 6580.7 7221.0 298.5 o -19 1 0 473.8 491.8 33.8 o -17 1 0 2897.2 2841.9 134.8 o -15 1 0 6008.6 5597.9 270.8 o -13 1 0 696.9 737.1 37.6 o -11 1 0 1367.0 1452.4 63.3 o -9 1 0 20467.8 20842.2 902.6 o 9 1 0 19409.9 20231.4 858.1 o 11 1 0 1338.8 1467.9 63.1 o 13 1 0 696.4 698.9 37.1 o 15 1 0 5907.3 5557.0 267.0 o 17 1 0 3025.1 2964.1 141.4 o 19 1 0 530.1 569.2 37.8 o 21 1 0 6692.5 6960.3 307.6 o 23 1 0 1049.0 1088.4 61.8 o 25 1 0 12.7 25.9 29.8 < 27 1 0 350.7 429.2 40.9 o 29 1 0 47.0 18.0 14.3 o 31 1 0 2643.9 2422.8 133.1 o 33 1 0 67.3 57.2 28.0 o 35 1 0 448.1 370.8 44.1 o 37 1 0 29.3 24.2 35.8 < 39 1 0 133.2 77.2 58.9 o -38 2 0 397.5 289.3 48.2 o -36 2 0 618.9 619.1 52.7 o -34 2 0 443.6 531.8 43.2 o -32 2 0 1367.2 1123.4 78.9 o -30 2 0 3501.4 3360.6 170.8 o -28 2 0 156.6 58.6 63.0 o -26 2 0 719.7 717.0 59.9 o -24 2 0 1021.1 1053.1 65.7 o -22 2 0 1307.6 1329.6 73.1 o -20 2 0 1981.9 2042.3 96.8 o -18 2 0 1368.9 1425.9 69.7 o -16 2 0 1537.1 1392.2 75.9 o -14 2 0 5056.4 4903.0 228.6 o -12 2 0 1710.2 1878.5 79.7 o -10 2 0 9593.2 8706.7 424.5 o -8 2 0 656.5 512.6 30.7 o 8 2 0 691.8 478.6 36.1 o 10 2 0 9522.0 8760.1 424.2 o 12 2 0 1643.6 1852.1 78.8 o 14 2 0 5091.7 4914.8 229.8 o 16 2 0 1474.2 1380.0 74.3 o 18 2 0 1323.4 1382.8 73.0 o 20 2 0 2028.4 2013.2 104.3 o 22 2 0 1291.8 1267.3 75.8 o 24 2 0 1060.9 1043.8 70.8 o 26 2 0 722.8 726.1 54.5 o 28 2 0 76.9 54.4 35.6 o 30 2 0 3530.9 3351.7 171.2 o 32 2 0 1503.6 1097.0 84.1 o 34 2 0 451.2 534.7 42.3 o 36 2 0 612.5 618.9 51.6 o 38 2 0 426.7 286.2 68.2 o -37 3 0 -77.8 5.1 37.4 < -35 3 0 469.0 332.6 46.1 o -33 3 0 1710.9 1727.1 95.0 o -31 3 0 141.6 91.3 27.6 o -29 3 0 1366.8 1181.4 77.1 o -27 3 0 3544.0 3494.0 175.7 o -25 3 0 267.4 308.3 44.4 o -23 3 0 2530.7 2346.6 126.7 o -21 3 0 497.4 600.2 37.8 o -19 3 0 1812.8 1785.0 89.6 o -17 3 0 2247.5 2403.9 107.4 o -15 3 0 561.6 487.1 32.0 o -13 3 0 13768.1 13024.8 610.5 o -11 3 0 7501.8 7481.2 332.6 o -9 3 0 38901.3 38047.0 1713.8 o -7 3 0 507.8 382.7 24.6 o 7 3 0 449.3 354.9 25.2 o 9 3 0 39186.2 38794.0 1729.1 o 11 3 0 7319.5 7241.0 328.6 o 13 3 0 13840.0 13607.8 616.1 o 15 3 0 395.1 492.0 33.1 o 17 3 0 2376.6 2405.3 118.3 o 19 3 0 1877.5 1720.1 98.8 o 21 3 0 724.9 605.4 55.0 o 23 3 0 2578.3 2384.7 132.4 o 25 3 0 268.6 397.1 45.9 o 27 3 0 3899.2 3344.4 193.8 o 29 3 0 1360.8 1210.0 68.9 o 31 3 0 203.4 104.2 28.9 o 33 3 0 1588.4 1842.3 87.6 o 35 3 0 231.8 342.7 48.5 o 37 3 0 169.8 5.5 51.2 o -38 4 0 26.0 25.2 37.8 < -36 4 0 2015.8 1952.9 111.0 o -34 4 0 592.1 402.1 48.9 o -32 4 0 34.9 21.3 36.8 < -30 4 0 1517.3 1248.8 84.4 o -28 4 0 1045.9 1011.1 62.7 o -26 4 0 3932.4 3678.2 190.8 o -24 4 0 551.8 585.3 52.9 o -22 4 0 229.3 231.7 34.4 o -20 4 0 1741.8 1785.4 88.3 o -18 4 0 480.1 429.4 35.8 o -16 4 0 712.5 796.1 39.5 o -14 4 0 810.8 900.0 41.8 o -12 4 0 322929.9 355349.7 14231.6 o -10 4 0 2277.5 2347.3 102.8 o -8 4 0 10743.6 9691.9 475.0 o -6 4 0 4884.7 4552.5 216.1 o 6 4 0 4801.6 4725.4 218.1 o 8 4 0 10485.9 9698.0 468.9 o 10 4 0 2051.8 2354.1 96.6 o 12 4 0 312699.8 353560.1 13804.1 o 14 4 0 776.3 900.7 48.9 o 16 4 0 730.8 837.6 49.1 o 18 4 0 400.8 429.1 41.3 o 20 4 0 1721.5 1757.6 95.0 o 22 4 0 277.9 244.7 43.0 o 24 4 0 733.4 617.4 63.0 o 26 4 0 4321.0 3675.1 213.0 o 28 4 0 987.0 983.0 83.7 o 30 4 0 1553.5 1252.6 138.0 o 32 4 0 64.6 21.3 24.0 o 34 4 0 443.6 407.2 62.1 o 36 4 0 1689.7 1932.9 120.5 o 38 4 0 36.6 27.8 55.1 < -37 5 0 -106.6 18.7 53.9 < -35 5 0 -27.4 101.3 33.4 < -33 5 0 1308.2 1154.5 78.0 o -31 5 0 308.1 349.2 35.2 o -29 5 0 186.4 91.4 28.4 o -27 5 0 1542.2 1372.9 76.8 o -25 5 0 333.5 131.1 51.2 o -23 5 0 493.2 398.8 47.9 o -21 5 0 438.3 550.2 42.3 o -19 5 0 9873.2 10157.6 443.9 o -17 5 0 5608.4 5422.8 256.0 o -15 5 0 1543.8 1608.2 74.0 o -13 5 0 3185.9 3268.5 145.4 o -11 5 0 14579.7 14679.3 644.5 o -9 5 0 2050.8 2095.2 92.2 o -7 5 0 446.0 498.3 22.4 o -5 5 0 27.8 12.9 8.5 o -3 5 0 16493.9 16638.3 728.0 o -1 5 0 1050.2 1055.8 58.1 o 1 5 0 1013.7 1062.0 54.9 o 3 5 0 17295.2 17421.9 772.3 o 5 5 0 4.5 12.5 19.5 < 7 5 0 464.5 559.7 32.0 o 9 5 0 1892.4 2058.3 97.2 o 11 5 0 15035.6 15182.7 676.0 o 13 5 0 2751.0 3155.3 131.5 o 15 5 0 1303.0 1249.4 73.6 o 17 5 0 5380.2 5339.8 251.0 o 19 5 0 10309.8 10653.9 474.6 o 21 5 0 544.6 648.1 51.5 o 23 5 0 421.6 401.2 49.9 o 25 5 0 198.5 134.2 51.3 o 27 5 0 1528.9 1448.7 99.7 o 29 5 0 48.2 94.9 73.4 < 31 5 0 367.6 365.1 35.1 o 33 5 0 1130.3 1068.3 89.9 o 35 5 0 134.5 95.5 44.5 o 37 5 0 7.3 17.9 46.8 < -36 6 0 77.9 62.1 34.4 o -34 6 0 -8.9 14.5 29.0 < -32 6 0 347.5 395.6 37.5 o -30 6 0 387.1 419.0 36.3 o -28 6 0 185.5 131.3 28.1 o -26 6 0 3033.4 2954.7 160.5 o -24 6 0 178.3 270.0 45.2 o -22 6 0 557.4 407.5 54.0 o -20 6 0 726.3 700.4 48.7 o -18 6 0 15373.2 15023.7 683.4 o -16 6 0 2560.4 2402.1 119.9 o -14 6 0 1868.5 2042.9 87.4 o -12 6 0 153.8 161.1 14.3 o -10 6 0 8658.2 8761.7 383.4 o -8 6 0 392.4 446.5 23.3 o -6 6 0 12856.7 10904.1 569.6 o -4 6 0 183.9 190.9 18.3 o -2 6 0 9549.0 8635.0 427.3 o 0 6 0 23533.4 23267.0 1060.8 o 2 6 0 8905.2 8587.6 418.5 o 4 6 0 181.9 236.8 40.3 o 6 6 0 12295.7 10717.4 565.6 o 8 6 0 349.8 422.2 35.4 o 10 6 0 8262.5 8587.9 379.5 o 12 6 0 174.1 181.7 34.6 o 14 6 0 1733.7 2024.5 95.6 o 16 6 0 2504.9 2464.3 126.5 o 18 6 0 14931.3 14924.1 672.7 o 20 6 0 796.7 643.4 73.5 o 22 6 0 638.0 390.0 60.3 o 24 6 0 232.8 252.9 53.4 o 26 6 0 3255.8 2937.5 169.7 o 28 6 0 34.4 132.5 74.4 < 30 6 0 529.8 422.4 40.0 o 32 6 0 449.3 390.1 62.4 o 34 6 0 153.7 19.0 52.4 o 36 6 0 97.0 56.1 51.9 < -37 7 0 41.5 3.1 36.9 < -35 7 0 790.8 668.1 59.7 o -33 7 0 1297.9 1190.0 78.9 o -31 7 0 431.6 474.4 38.7 o -29 7 0 855.8 746.3 56.0 o -27 7 0 394.5 396.0 34.8 o -25 7 0 809.2 840.7 73.4 o -23 7 0 994.3 1068.5 72.1 o -21 7 0 11463.2 11186.5 516.3 o -19 7 0 1821.8 1801.4 88.8 o -17 7 0 12220.8 12335.6 543.4 o -15 7 0 73.0 67.1 16.2 o -13 7 0 3468.7 3375.1 157.7 o -11 7 0 310.1 324.7 26.9 o -9 7 0 8185.1 8160.6 366.6 o -7 7 0 259.4 221.5 21.5 o -5 7 0 1102.8 1202.3 57.8 o -3 7 0 2587.7 2617.8 127.8 o -1 7 0 6888.0 7099.8 334.2 o 1 7 0 6774.5 7346.8 329.0 o 3 7 0 2550.8 2607.3 143.7 o 5 7 0 1105.9 1216.2 81.9 o 7 7 0 283.7 280.9 39.2 o 9 7 0 7896.2 7996.3 365.4 o 11 7 0 369.0 363.9 45.1 o 13 7 0 3333.6 3329.8 168.0 o 15 7 0 125.3 84.2 40.2 o 17 7 0 11862.5 12727.1 544.0 o 19 7 0 1553.5 1691.4 98.9 o 21 7 0 11272.3 11592.1 535.1 o 23 7 0 936.9 1036.7 74.2 o 25 7 0 924.1 891.2 79.7 o 27 7 0 87.8 355.3 82.6 < 29 7 0 909.8 791.7 56.4 o 31 7 0 561.4 479.0 63.3 o 33 7 0 1424.3 1228.1 105.8 o 35 7 0 983.9 644.7 90.0 o 37 7 0 9.6 3.0 51.2 < -36 8 0 30.5 13.7 35.5 < -34 8 0 -26.4 33.7 46.1 < -32 8 0 99.8 141.5 30.5 o -30 8 0 86.7 73.0 26.3 o -28 8 0 1088.8 975.8 65.3 o -26 8 0 202.6 172.8 27.9 o -24 8 0 20849.7 21320.1 935.0 o -22 8 0 583.5 639.4 50.9 o -20 8 0 205.5 100.4 28.3 o -18 8 0 2422.9 2329.4 113.8 o -16 8 0 1056.7 938.0 55.1 o -14 8 0 450.3 457.4 32.0 o -12 8 0 769.8 783.8 48.6 o -10 8 0 5562.7 6084.6 255.4 o -8 8 0 25922.5 25789.6 1147.6 o -6 8 0 9186.0 8971.5 412.4 o -4 8 0 8691.7 8527.5 411.9 o -2 8 0 3083.2 3143.4 150.6 o 0 8 0 369793.4 390761.6 16396.3 o 2 8 0 2923.1 3063.8 162.8 o 4 8 0 7983.8 8341.8 388.4 o 6 8 0 8697.8 8848.2 415.9 o 8 8 0 25032.6 25689.7 1121.8 o 10 8 0 5648.2 6050.8 271.3 o 12 8 0 811.1 771.6 66.4 o 14 8 0 381.1 456.4 50.6 o 16 8 0 928.6 950.9 72.8 o 18 8 0 2377.4 2341.7 134.5 o 20 8 0 114.3 97.6 72.1 < 22 8 0 539.0 628.2 91.5 o 24 8 0 21106.3 20834.7 958.3 o 26 8 0 351.7 167.8 93.6 o 28 8 0 1042.1 930.8 62.1 o 30 8 0 35.3 79.0 24.7 < 32 8 0 198.5 141.7 49.8 o 34 8 0 -24.5 35.2 51.8 < 36 8 0 55.4 13.7 54.4 < -35 9 0 -50.3 41.4 35.3 < -33 9 0 106.5 50.8 30.9 o -31 9 0 683.0 553.8 51.8 o -29 9 0 87.8 108.3 27.2 o -27 9 0 187.3 161.2 25.8 o -25 9 0 698.5 667.3 40.5 o -23 9 0 1452.3 1231.5 85.2 o -21 9 0 1150.9 902.2 67.4 o -19 9 0 294.5 200.1 32.7 o -17 9 0 508.1 441.2 43.7 o -15 9 0 242.7 240.4 32.5 o -13 9 0 4627.3 4084.8 216.1 o -11 9 0 1933.9 1931.2 99.0 o -9 9 0 190.0 148.4 36.5 o -7 9 0 3890.5 3667.2 181.9 o -5 9 0 546.3 566.3 38.3 o -3 9 0 45.2 62.5 32.7 < -1 9 0 2663.4 3254.5 168.4 o 1 9 0 2856.8 3140.6 164.5 o 3 9 0 111.6 78.2 58.6 < 5 9 0 649.6 617.7 76.6 o 7 9 0 3654.7 3511.2 199.9 o 9 9 0 227.1 196.0 45.8 o 11 9 0 1870.0 1939.3 112.5 o 13 9 0 4609.9 3957.4 231.0 o 15 9 0 193.1 263.0 58.7 o 17 9 0 412.0 444.1 67.5 o 19 9 0 291.3 212.1 93.3 o 21 9 0 786.3 854.6 104.8 o 23 9 0 1023.0 1263.2 123.8 o 25 9 0 603.1 638.4 97.8 o 27 9 0 253.2 159.9 123.7 o 29 9 0 14.5 121.0 40.8 < 31 9 0 541.9 576.0 43.5 o 33 9 0 121.4 67.0 54.4 o 35 9 0 36.7 38.9 55.6 < -34 10 0 -13.4 38.9 35.0 < -32 10 0 196.8 292.5 35.9 o -30 10 0 4764.5 4856.8 227.8 o -28 10 0 360.6 325.5 37.1 o -26 10 0 624.8 555.7 45.1 o -24 10 0 134.0 157.4 18.6 o -22 10 0 2339.1 1981.8 127.9 o -20 10 0 142.1 133.9 47.5 o -18 10 0 1196.1 955.8 73.1 o -16 10 0 1547.2 1842.3 91.3 o -14 10 0 916.3 853.8 64.9 o -12 10 0 1640.7 1665.7 92.9 o -10 10 0 2946.6 3105.9 148.1 o -8 10 0 373.2 400.3 44.2 o -6 10 0 1732.3 1637.1 89.9 o -4 10 0 2901.7 3346.1 141.8 o -2 10 0 1005.3 1221.0 66.8 o 0 10 0 8064.3 8707.0 399.6 o 2 10 0 923.3 1161.0 85.3 o 4 10 0 3130.8 3299.4 185.5 o 6 10 0 1660.9 1668.0 120.3 o 8 10 0 262.7 331.0 68.6 o 10 10 0 2639.3 2996.2 148.1 o 12 10 0 1411.3 1672.3 102.4 o 14 10 0 903.3 814.3 88.4 o 16 10 0 1335.7 1904.7 101.8 o 18 10 0 1117.0 970.0 123.5 o 20 10 0 162.9 136.8 109.2 < 22 10 0 2431.7 2011.4 180.7 o 24 10 0 1.2 128.2 98.6 < 26 10 0 363.9 530.9 116.1 o 28 10 0 257.0 327.7 33.0 o 30 10 0 4368.4 4810.5 209.9 o 32 10 0 236.4 275.7 58.1 o 34 10 0 -84.4 40.6 50.8 < -33 11 0 1587.7 1720.1 116.3 o -31 11 0 1012.9 708.0 87.3 o -29 11 0 778.3 597.1 77.8 o -27 11 0 494.0 415.7 59.7 o -25 11 0 1307.5 1128.9 93.0 o -23 11 0 58.8 68.1 19.3 o -21 11 0 1901.8 1877.8 111.7 o -19 11 0 398.4 365.8 59.1 o -17 11 0 1614.1 2117.1 98.0 o -15 11 0 1364.1 1260.7 87.6 o -13 11 0 951.9 937.6 68.7 o -11 11 0 41.6 111.4 43.4 < -9 11 0 7093.5 6823.9 329.0 o -7 11 0 5357.3 4660.5 253.7 o -5 11 0 1682.1 1741.2 94.2 o -3 11 0 104.7 72.9 36.1 o -1 11 0 4544.0 4045.0 224.8 o 1 11 0 4830.1 4190.4 265.5 o 3 11 0 34.7 90.3 67.8 < 5 11 0 1415.0 1805.1 119.0 o 7 11 0 5277.2 4562.2 285.7 o 9 11 0 7125.7 7091.1 341.2 o 11 11 0 2.1 125.5 52.4 < 13 11 0 908.0 979.8 80.0 o 15 11 0 1295.3 1241.4 134.1 o 17 11 0 1674.7 2118.9 147.7 o 19 11 0 456.7 522.0 125.2 o 21 11 0 1574.9 1929.3 166.7 o 23 11 0 40.3 72.4 146.8 < 25 11 0 1065.0 1156.0 111.1 o 27 11 0 400.0 405.3 36.9 o 29 11 0 691.0 617.3 51.0 o 31 11 0 638.7 671.3 51.4 o 33 11 0 1887.1 1758.1 131.4 o -32 12 0 127.9 42.8 49.0 o -30 12 0 547.4 387.9 70.0 o -28 12 0 8.0 20.7 45.8 < -26 12 0 427.0 516.3 57.0 o -24 12 0 376.5 392.8 33.7 o -22 12 0 300.8 269.4 24.7 o -20 12 0 207.6 273.1 63.5 o -18 12 0 935.2 851.4 77.9 o -16 12 0 235.4 290.0 58.4 o -14 12 0 266.6 73.3 54.6 o -12 12 0 51995.7 50362.8 2305.0 o -10 12 0 317.7 211.7 54.4 o -8 12 0 1937.8 2087.5 105.8 o -6 12 0 62.1 136.9 40.9 < -4 12 0 1173.0 1489.3 83.1 o -2 12 0 2168.1 2514.3 115.1 o 0 12 0 17476.2 16995.2 794.0 o 2 12 0 2359.9 2409.5 163.5 o 4 12 0 1567.9 1530.0 129.2 o 6 12 0 87.1 154.2 59.1 < 8 12 0 2068.1 2110.4 153.1 o 10 12 0 104.5 217.2 57.6 < 12 12 0 49868.0 50189.6 2253.3 o 14 12 0 -77.1 73.4 110.1 < 16 12 0 392.9 319.7 104.9 o 18 12 0 623.9 828.9 112.5 o 20 12 0 729.3 280.5 139.3 o 22 12 0 311.7 264.3 142.0 o 24 12 0 495.5 397.4 49.3 o 26 12 0 575.2 518.8 44.7 o 28 12 0 39.8 26.7 27.8 < 30 12 0 366.5 387.9 39.9 o -31 13 0 -19.8 13.7 48.0 < -29 13 0 64.2 40.2 49.3 < -27 13 0 927.4 989.9 82.2 o -25 13 0 464.6 416.7 60.6 o -23 13 0 324.2 524.0 27.7 o -21 13 0 580.7 466.2 37.0 o -19 13 0 839.6 867.9 82.6 o -17 13 0 221.2 184.6 57.4 o -15 13 0 498.2 682.1 59.8 o -13 13 0 397.9 435.8 59.5 o -11 13 0 -3.1 22.4 55.9 < -9 13 0 1350.5 1443.9 89.6 o -7 13 0 1186.2 1088.8 78.3 o -5 13 0 178.7 183.9 48.5 o -3 13 0 361.3 392.4 53.1 o -1 13 0 2905.1 2929.6 149.1 o 1 13 0 2938.8 2876.6 152.8 o 3 13 0 153.6 306.8 89.5 < 5 13 0 143.9 173.8 82.7 < 7 13 0 1216.3 1113.1 127.4 o 9 13 0 1329.7 1433.9 142.8 o 11 13 0 57.5 19.9 103.8 < 13 13 0 701.8 420.6 135.2 o 15 13 0 861.8 696.1 138.3 o 17 13 0 241.6 174.4 121.9 < 19 13 0 874.8 911.5 144.1 o 21 13 0 618.9 507.6 54.2 o 23 13 0 414.5 531.5 46.8 o 25 13 0 468.5 410.1 41.6 o 27 13 0 831.5 1037.6 56.8 o 29 13 0 85.2 41.5 38.4 o 31 13 0 -37.2 12.5 40.1 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