data_I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_intensity_meas _refln_intensity_calc _refln_intensity_sigma _refln_observed_status 3 0 0 8462.6 8820.4 94.8 o 4 0 0 2152.6 2272.8 24.5 o 5 0 0 426.7 392.5 7.9 o 6 0 0 5112.7 5198.5 62.9 o 7 0 0 2302.7 2253.4 38.0 o 8 0 0 5219.8 5290.2 76.5 o 9 0 0 46.6 63.0 9.1 o 10 0 0 700.4 736.8 24.1 o 11 0 0 1259.8 1238.2 39.5 o 12 0 0 107.2 98.9 17.6 o 13 0 0 -4.3 2.4 16.2 < 2 1 0 72953.0 65709.4 2719.0 o 3 1 0 2116.8 2077.1 16.0 o 4 1 0 11887.1 11697.2 86.6 o 5 1 0 5289.2 5260.8 40.4 o 6 1 0 3969.1 3782.6 35.1 o 7 1 0 224.8 203.4 6.5 o 8 1 0 286.3 271.1 8.2 o 9 1 0 698.8 772.1 14.2 o 10 1 0 61.3 42.1 9.5 o 11 1 0 425.4 436.0 13.2 o 12 1 0 13.1 9.3 11.0 < 13 1 0 46.6 47.9 13.3 o 1 2 0 13945.3 15629.0 118.0 o 2 2 0 64046.2 62329.9 1024.8 o 3 2 0 7096.4 7031.5 52.8 o 4 2 0 3323.5 3268.2 23.6 o 5 2 0 87.8 93.4 3.4 o 6 2 0 1863.0 1890.6 17.9 o 7 2 0 1304.6 1404.7 15.1 o 8 2 0 235.9 241.2 7.5 o 9 2 0 1089.3 1127.7 16.6 o 10 2 0 874.6 866.2 16.8 o 11 2 0 97.9 87.6 10.5 o 12 2 0 0.1 14.1 11.6 < 13 2 0 221.7 211.7 20.8 o 1 3 0 679.6 698.9 6.1 o 2 3 0 18119.5 18129.3 141.8 o 3 3 0 1236.2 1273.5 10.4 o 4 3 0 4531.4 4605.4 33.9 o 5 3 0 448.5 430.0 6.0 o 6 3 0 617.6 655.5 8.8 o 7 3 0 21.1 21.5 5.4 o 8 3 0 19.0 12.6 5.7 o 9 3 0 43.8 32.8 7.5 o 10 3 0 373.8 356.5 12.9 o 11 3 0 37.3 40.5 9.7 o 12 3 0 73.5 60.4 14.4 o 13 3 0 98.9 88.6 20.8 o 0 4 0 8077.0 8755.9 91.3 o 1 4 0 1488.0 1494.3 12.6 o 2 4 0 3424.2 3552.5 26.5 o 3 4 0 17480.2 16348.5 128.4 o 4 4 0 7013.4 7033.5 52.9 o 5 4 0 5228.1 4863.3 43.6 o 6 4 0 1606.8 1432.5 17.7 o 7 4 0 139.6 116.2 5.8 o 8 4 0 54.8 66.6 6.3 o 9 4 0 375.2 359.8 10.0 o 10 4 0 630.3 635.1 15.9 o 11 4 0 496.2 493.8 17.9 o 12 4 0 282.9 295.6 16.8 o 13 4 0 88.6 75.0 18.1 o 1 5 0 34.9 31.1 2.4 o 2 5 0 5142.5 5069.8 38.0 o 3 5 0 3121.8 3136.1 25.7 o 4 5 0 2503.8 2379.2 22.9 o 5 5 0 506.8 510.1 8.5 o 6 5 0 575.8 536.7 11.7 o 7 5 0 519.1 541.0 11.1 o 8 5 0 1677.7 1604.0 23.3 o 9 5 0 3581.2 3497.1 49.2 o 10 5 0 117.6 107.3 10.3 o 11 5 0 82.5 97.0 13.0 o 12 5 0 182.9 172.0 19.4 o 0 6 0 8829.8 8324.1 92.4 o 1 6 0 2486.0 2350.5 21.2 o 2 6 0 4863.5 5048.1 38.0 o 3 6 0 3571.6 3290.3 27.9 o 4 6 0 5558.8 5425.2 49.6 o 5 6 0 2810.2 2537.2 30.2 o 6 6 0 336.6 335.1 9.7 o 7 6 0 1265.4 1287.6 18.3 o 8 6 0 1250.0 1352.7 20.0 o 9 6 0 266.8 327.4 12.1 o 10 6 0 249.8 229.8 13.9 o 11 6 0 27.7 38.7 18.6 < 12 6 0 340.8 370.7 19.3 o 1 7 0 2056.1 1903.2 19.0 o 2 7 0 806.1 761.3 9.1 o 3 7 0 2239.9 2243.8 22.7 o 4 7 0 40.5 31.1 4.5 o 5 7 0 4732.4 4544.5 50.6 o 6 7 0 2204.7 2327.2 29.4 o 7 7 0 45.6 73.2 7.4 o 8 7 0 420.5 436.8 14.0 o 9 7 0 200.0 194.0 11.8 o 10 7 0 88.1 60.6 13.5 o 11 7 0 124.7 135.8 14.8 o 12 7 0 48.0 9.9 16.8 o 0 8 0 1219.5 1255.1 17.8 o 1 8 0 1907.3 1961.4 18.7 o 2 8 0 1110.7 1081.0 12.4 o 3 8 0 766.7 753.5 10.0 o 4 8 0 1049.7 1095.7 14.9 o 5 8 0 2443.5 2330.7 28.3 o 6 8 0 323.3 359.1 10.5 o 7 8 0 1228.4 1261.8 24.2 o 8 8 0 873.5 908.5 19.0 o 9 8 0 361.1 394.5 16.4 o 10 8 0 378.9 337.8 18.0 o 11 8 0 67.4 86.0 18.1 o 1 9 0 1328.6 1297.0 15.0 o 2 9 0 443.5 466.7 7.5 o 3 9 0 1053.1 1023.0 14.7 o 4 9 0 1948.5 1914.9 27.0 o 5 9 0 549.3 579.8 12.1 o 6 9 0 1028.8 1109.8 19.9 o 7 9 0 264.6 247.4 14.5 o 8 9 0 136.2 130.2 12.2 o 9 9 0 -4.0 20.6 13.8 < 10 9 0 173.7 140.6 16.5 o 11 9 0 133.6 95.3 20.4 o 0 10 0 6081.0 6025.3 93.9 o 1 10 0 2279.7 2329.3 25.2 o 2 10 0 36.9 31.8 6.2 o 3 10 0 313.4 319.9 9.5 o 4 10 0 14.7 10.1 7.5 < 5 10 0 306.2 296.1 12.6 o 6 10 0 1120.2 1225.3 24.8 o 7 10 0 272.2 283.0 15.1 o 8 10 0 216.3 176.7 14.4 o 9 10 0 145.8 149.6 18.6 o 10 10 0 8.0 11.8 18.3 < 1 11 0 1304.1 1384.2 17.8 o 2 11 0 2859.6 2821.5 33.3 o 3 11 0 1352.6 1432.0 19.8 o 4 11 0 957.7 909.8 18.5 o 5 11 0 306.0 271.7 15.1 o 6 11 0 230.4 203.8 12.9 o 7 11 0 34.1 8.7 14.0 o 8 11 0 19.4 58.2 13.5 < 9 11 0 56.0 24.6 17.8 o 0 12 0 1952.7 2025.9 33.6 o 1 12 0 1234.3 1255.4 18.3 o 2 12 0 408.1 442.4 10.6 o 3 12 0 1606.9 1556.5 26.3 o 4 12 0 1403.2 1410.6 26.6 o 5 12 0 700.3 714.0 21.7 o 6 12 0 142.8 122.6 15.1 o 7 12 0 7.9 35.1 16.5 < 8 12 0 38.1 74.9 18.1 o 9 12 0 -31.4 9.6 20.0 < 1 13 0 531.5 495.1 13.9 o 2 13 0 1028.5 996.1 18.8 o 3 13 0 247.3 271.1 13.6 o 4 13 0 -3.2 4.7 12.7 < 5 13 0 94.1 74.2 14.1 o 6 13 0 31.3 42.3 15.3 o 7 13 0 49.2 10.0 16.0 o 8 13 0 86.5 65.4 21.0 o 0 14 0 518.9 520.4 19.3 o 1 14 0 200.5 210.2 10.6 o 2 14 0 271.3 286.9 12.2 o 3 14 0 179.5 163.6 16.5 o 4 14 0 24.4 24.4 13.9 < 5 14 0 129.0 100.9 16.8 o 6 14 0 55.6 47.2 20.2 o 7 14 0 21.3 11.1 20.0 < 1 15 0 292.2 266.2 14.1 o 2 15 0 431.4 382.9 18.5 o 3 15 0 -7.7 15.9 12.7 < 4 15 0 153.8 147.6 17.4 o 5 15 0 67.8 66.2 16.4 o 0 16 0 424.5 360.0 26.2 o 1 16 0 34.4 20.8 15.0 o 2 16 0 -9.4 2.9 17.4 < 3 16 0 38.9 28.0 17.2 o -13 0 1 71.1 39.1 19.7 o -12 0 1 48.5 23.2 14.5 o -11 0 1 73.8 62.4 15.3 o -10 0 1 1228.8 1203.5 31.4 o -9 0 1 20.8 8.7 11.0 < -8 0 1 5729.1 5631.0 87.8 o -7 0 1 3100.3 2793.0 44.4 o -6 0 1 -4.0 2.6 5.3 < -5 0 1 5681.2 5620.4 58.4 o -4 0 1 49143.9 48826.3 698.3 o -3 0 1 29978.9 29533.6 274.6 o -2 0 1 17898.6 19331.9 181.5 o 3 0 1 10.2 19.8 2.6 o 4 0 1 2794.2 2789.5 32.2 o 5 0 1 268.3 285.6 7.1 o 6 0 1 6.4 1.0 5.4 < 7 0 1 3941.6 4009.6 58.1 o 8 0 1 1257.1 1335.9 24.0 o 9 0 1 104.8 130.9 13.7 o 10 0 1 27.4 30.2 15.3 < 11 0 1 224.4 220.9 22.7 o 12 0 1 14.1 21.6 14.4 < 13 0 1 54.6 89.2 20.4 o -13 1 1 35.0 27.4 13.1 o -12 1 1 31.2 54.5 10.2 o -11 1 1 187.9 153.2 10.1 o -10 1 1 144.3 142.2 10.5 o -9 1 1 152.5 162.0 8.1 o -8 1 1 697.9 718.2 11.1 o -7 1 1 1049.8 1031.1 12.2 o -6 1 1 3532.1 3238.5 29.6 o -5 1 1 8434.8 7699.7 64.8 o -4 1 1 9170.9 9101.3 66.6 o -3 1 1 13776.4 13990.2 97.6 o -2 1 1 25195.2 26962.8 184.3 o 1 1 1 25730.6 26787.2 270.9 o 2 1 1 15426.0 15858.5 125.5 o 3 1 1 14408.8 14139.5 125.9 o 4 1 1 5133.1 4691.8 43.0 o 5 1 1 4005.3 4106.4 33.5 o 6 1 1 414.0 448.7 6.8 o 7 1 1 162.7 191.4 7.1 o 8 1 1 2508.3 2484.3 30.7 o 9 1 1 2093.2 2074.9 28.2 o 10 1 1 126.6 128.7 10.7 o 11 1 1 77.5 68.1 13.0 o 12 1 1 227.7 260.9 14.9 o 13 1 1 294.8 223.5 22.7 o -13 2 1 285.9 254.8 17.9 o -12 2 1 -1.9 2.4 12.7 < -11 2 1 139.6 119.3 10.2 o -10 2 1 187.8 173.0 8.9 o -9 2 1 356.0 337.6 9.0 o -8 2 1 926.8 940.7 14.0 o -7 2 1 110.6 74.7 5.5 o -6 2 1 4078.7 3718.4 31.0 o -5 2 1 656.2 623.4 6.7 o -4 2 1 28887.9 28678.4 193.7 o -3 2 1 38796.5 38616.9 281.3 o -2 2 1 14556.5 15316.2 106.3 o 0 2 1 1567.6 1562.7 11.4 o 1 2 1 26747.7 28757.1 264.0 o 2 2 1 1882.2 1881.1 16.1 o 3 2 1 5038.0 5155.2 40.9 o 4 2 1 10575.1 10592.5 83.4 o 5 2 1 1700.7 1709.3 17.7 o 6 2 1 1635.1 1527.6 19.6 o 7 2 1 1431.1 1489.4 20.9 o 8 2 1 1121.5 1126.0 16.9 o 9 2 1 319.9 321.4 10.4 o 10 2 1 161.0 172.7 10.3 o 11 2 1 658.6 621.1 17.9 o 12 2 1 173.8 175.5 13.6 o 13 2 1 71.6 61.5 17.4 o -13 3 1 94.2 99.6 15.6 o -12 3 1 -5.8 11.5 15.9 < -11 3 1 869.6 850.3 18.6 o -10 3 1 1744.8 1701.3 26.1 o -9 3 1 1028.1 989.7 15.0 o -8 3 1 1535.6 1467.1 17.1 o -7 3 1 27.5 32.9 4.2 o -6 3 1 3151.6 2811.3 26.0 o -5 3 1 7520.5 6713.0 59.3 o -4 3 1 19102.3 18880.6 133.1 o -3 3 1 13854.8 13539.0 92.7 o -2 3 1 29362.8 29788.8 224.4 o -1 3 1 17075.5 18530.2 133.2 o 0 3 1 47369.0 47248.3 808.3 o 1 3 1 13349.7 13337.7 104.9 o 2 3 1 14048.0 14625.9 105.8 o 3 3 1 13886.6 13255.9 106.1 o 4 3 1 7038.3 6088.3 57.7 o 5 3 1 4982.9 4554.2 43.8 o 6 3 1 1835.4 1790.2 19.3 o 7 3 1 355.3 314.1 8.1 o 8 3 1 915.9 922.7 14.2 o 9 3 1 1503.8 1344.4 21.5 o 10 3 1 134.3 148.5 10.7 o 11 3 1 881.8 871.4 20.6 o 12 3 1 131.9 134.6 14.6 o -13 4 1 11.9 67.6 19.4 < -12 4 1 17.1 11.8 13.3 < -11 4 1 478.7 535.4 16.6 o -10 4 1 348.1 360.1 11.0 o -9 4 1 753.1 802.1 14.0 o -8 4 1 121.6 140.3 6.0 o -7 4 1 788.6 702.7 11.1 o -6 4 1 1028.9 989.9 13.4 o -5 4 1 7779.6 7485.5 69.5 o -4 4 1 5411.0 5479.1 39.3 o -3 4 1 13192.3 13905.2 97.5 o -2 4 1 24859.8 25777.2 201.1 o -1 4 1 1646.1 1238.8 14.3 o 0 4 1 9445.9 9957.6 71.5 o 1 4 1 1493.1 1723.8 12.8 o 2 4 1 26117.9 25706.6 216.3 o 3 4 1 375.3 434.0 5.0 o 4 4 1 3475.8 3075.2 27.4 o 5 4 1 1139.9 1129.4 12.2 o 6 4 1 948.5 964.9 12.5 o 7 4 1 810.3 786.5 11.7 o 8 4 1 341.6 308.4 9.2 o 9 4 1 668.9 621.9 13.8 o 10 4 1 264.6 252.3 12.4 o 11 4 1 20.7 17.0 11.7 < 12 4 1 131.1 116.1 19.2 o -12 5 1 207.9 199.9 17.0 o -11 5 1 276.3 306.5 15.4 o -10 5 1 573.4 524.7 17.3 o -9 5 1 198.2 180.2 10.9 o -8 5 1 240.3 239.4 9.4 o -7 5 1 482.9 438.5 9.3 o -6 5 1 3473.0 3330.1 35.1 o -5 5 1 1852.8 2078.4 18.1 o -4 5 1 1233.3 1264.4 12.1 o -3 5 1 13290.3 12743.9 113.4 o -2 5 1 3358.1 3143.2 27.7 o -1 5 1 817.3 880.3 8.0 o 0 5 1 2717.0 3111.0 22.2 o 1 5 1 6478.3 7127.3 50.1 o 2 5 1 14391.1 14223.6 116.6 o 3 5 1 8875.7 8457.7 70.0 o 4 5 1 19968.2 18414.5 163.2 o 5 5 1 2742.4 2768.4 27.4 o 6 5 1 552.0 581.2 9.4 o 7 5 1 129.6 147.7 7.0 o 8 5 1 20.4 26.5 7.0 o 9 5 1 448.2 386.2 13.6 o 10 5 1 20.1 1.4 11.5 < 11 5 1 70.9 60.4 16.6 o 12 5 1 8.3 15.0 14.5 < -12 6 1 108.6 82.7 19.0 o -11 6 1 199.5 191.5 16.2 o -10 6 1 487.5 474.3 16.7 o -9 6 1 884.9 901.8 18.9 o -8 6 1 1179.1 1187.1 19.1 o -7 6 1 616.8 682.1 12.2 o -6 6 1 1606.8 1624.6 21.1 o -5 6 1 2396.6 2390.1 25.4 o -4 6 1 7133.1 7142.7 62.8 o 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7 1 376.2 345.5 17.2 o 11 7 1 52.7 38.7 17.8 o -11 8 1 -1.3 2.9 16.7 < -10 8 1 155.7 187.5 16.2 o -9 8 1 699.4 695.2 19.0 o -8 8 1 927.3 902.9 22.6 o -7 8 1 664.4 655.6 16.8 o -6 8 1 690.3 673.1 13.2 o -5 8 1 159.7 153.6 6.4 o -4 8 1 990.9 992.4 12.6 o -3 8 1 1542.5 1442.8 15.6 o -2 8 1 170.8 194.9 5.0 o -1 8 1 1449.2 1269.7 15.4 o 0 8 1 89.6 96.1 3.9 o 1 8 1 2505.7 2374.5 24.1 o 2 8 1 2605.5 2426.1 29.0 o 3 8 1 353.6 357.0 7.3 o 4 8 1 554.1 598.5 9.7 o 5 8 1 458.3 472.9 12.4 o 6 8 1 324.7 360.2 13.5 o 7 8 1 356.3 277.9 13.2 o 8 8 1 472.0 494.4 14.1 o 9 8 1 369.6 391.0 19.2 o 10 8 1 94.7 75.2 18.7 o 11 8 1 125.6 155.6 17.1 o -11 9 1 5.6 37.7 20.0 < -10 9 1 169.4 131.5 16.8 o -9 9 1 137.1 154.5 15.0 o -8 9 1 90.3 83.5 12.6 o -7 9 1 75.1 69.3 9.5 o -6 9 1 88.2 90.6 7.3 o -5 9 1 527.9 527.3 11.2 o -4 9 1 919.0 923.9 12.7 o -3 9 1 1429.1 1478.7 16.7 o -2 9 1 703.5 663.3 9.8 o -1 9 1 203.9 214.2 5.4 o 0 9 1 181.3 209.0 5.6 o 1 9 1 260.3 277.1 6.2 o 2 9 1 459.4 423.4 9.2 o 3 9 1 697.2 683.1 12.8 o 4 9 1 223.3 242.5 8.2 o 5 9 1 -0.6 1.1 6.6 < 6 9 1 769.3 789.4 18.7 o 7 9 1 917.6 974.6 23.3 o 8 9 1 5.8 2.4 10.7 < 9 9 1 3.2 1.9 11.5 < 10 9 1 78.6 65.8 17.0 o 11 9 1 216.3 148.9 23.6 o -10 10 1 252.4 244.5 21.3 o -9 10 1 161.0 167.3 18.2 o -8 10 1 600.2 641.4 20.0 o -7 10 1 407.4 435.6 16.4 o -6 10 1 184.5 219.2 12.1 o -5 10 1 43.4 54.2 9.2 o -4 10 1 659.7 675.4 11.9 o -3 10 1 1145.1 1205.9 14.5 o -2 10 1 338.7 356.8 7.6 o -1 10 1 1962.4 2090.5 23.6 o 0 10 1 820.5 786.4 11.6 o 1 10 1 538.1 490.1 9.6 o 2 10 1 1251.4 1244.4 18.6 o 3 10 1 320.8 344.4 10.6 o 4 10 1 49.5 66.6 7.9 o 5 10 1 1495.3 1446.6 30.0 o 6 10 1 1371.6 1426.3 26.8 o 7 10 1 94.4 90.3 15.1 o 8 10 1 468.6 473.5 19.4 o 9 10 1 96.6 90.7 17.0 o 10 10 1 61.1 58.9 20.0 o -10 11 1 168.9 130.0 25.5 o -9 11 1 49.6 49.4 16.7 o -8 11 1 94.3 105.9 17.0 o -7 11 1 73.5 72.6 11.8 o -6 11 1 352.0 359.5 14.4 o -5 11 1 44.5 50.4 9.6 o -4 11 1 187.1 190.8 11.4 o -3 11 1 844.5 838.0 12.3 o -2 11 1 395.4 384.0 9.3 o -1 11 1 1420.1 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