data_I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_intensity_meas _refln_intensity_calc _refln_intensity_sigma _refln_observed_status 2 0 0 107.1 132.7 5.3 o 3 0 0 1337.7 1417.4 32.3 o 4 0 0 2800.5 2892.5 64.1 o 5 0 0 401.7 491.4 14.7 o 6 0 0 38.3 38.5 6.8 o 7 0 0 189.2 167.7 16.3 o 8 0 0 25.7 2.6 10.2 < 9 0 0 29.8 28.6 12.3 < -9 1 0 33.8 9.8 16.4 < -8 1 0 98.9 62.9 14.0 o -7 1 0 12.6 4.3 7.7 < -6 1 0 2069.4 2312.8 64.1 o -5 1 0 32.5 31.0 5.3 o -4 1 0 90.3 96.9 6.4 o -3 1 0 1064.7 967.5 26.6 o -2 1 0 220.8 187.7 7.7 o -1 1 0 54258.8 54290.9 1118.5 o 0 1 0 5949.1 6168.4 123.9 o 1 1 0 9622.0 9045.3 199.8 o 2 1 0 5437.5 4683.4 115.2 o 3 1 0 1844.3 1977.1 43.0 o 4 1 0 294.3 293.7 11.8 o 5 1 0 437.6 526.0 16.0 o 6 1 0 40.8 55.5 6.0 o 7 1 0 24.8 26.3 8.8 < 8 1 0 13.5 0.2 9.9 < 9 1 0 18.9 14.7 10.5 < -8 2 0 -9.5 0.2 8.9 < -7 2 0 30.5 1.7 8.9 o -6 2 0 -3.2 0.8 7.0 < -5 2 0 326.6 343.0 15.6 o -4 2 0 7171.0 6426.3 154.1 o -3 2 0 160.9 190.1 7.5 o -2 2 0 9437.3 9331.5 197.7 o -1 2 0 7992.5 7885.4 167.0 o 0 2 0 19039.7 18108.2 393.4 o 1 2 0 18587.8 18101.3 384.5 o 2 2 0 18075.9 17525.9 374.9 o 3 2 0 938.1 812.8 24.6 o 4 2 0 1391.2 1386.4 35.5 o 5 2 0 11.5 4.4 5.4 < 6 2 0 101.1 91.8 8.2 o 7 2 0 26.1 10.4 8.8 < 8 2 0 58.3 61.4 11.9 o 9 2 0 42.0 19.1 12.1 o -8 3 0 25.4 0.1 10.4 < -7 3 0 79.2 83.7 13.0 o -6 3 0 464.8 534.0 26.1 o -5 3 0 1219.6 1208.4 37.0 o -4 3 0 808.3 712.9 23.2 o -3 3 0 20307.2 18475.2 422.9 o -2 3 0 8012.2 7599.3 169.4 o -1 3 0 4468.5 4059.8 95.8 o 0 3 0 11918.9 11009.2 248.2 o 1 3 0 4998.6 5065.6 106.3 o 2 3 0 7901.9 7112.5 166.8 o 3 3 0 3638.9 3659.5 80.7 o 4 3 0 -5.7 2.7 4.6 < 5 3 0 59.1 95.5 6.9 o 6 3 0 28.1 29.9 5.6 o 7 3 0 36.7 20.6 7.1 o 8 3 0 13.3 5.2 9.2 < -8 4 0 57.2 33.8 13.1 o -7 4 0 18.6 23.7 9.4 < -6 4 0 7.8 17.9 7.5 < -5 4 0 334.4 356.6 17.0 o -4 4 0 107.6 80.4 8.9 o -3 4 0 516.5 492.0 16.8 o -2 4 0 400.9 530.5 13.5 o -1 4 0 3408.4 2930.3 75.1 o 0 4 0 2860.8 2655.0 63.4 o 1 4 0 1073.4 1180.0 26.8 o 2 4 0 44.9 44.0 4.7 o 3 4 0 56.7 38.1 5.7 o 4 4 0 924.5 990.6 26.4 o 5 4 0 15.1 22.5 5.3 < 6 4 0 77.2 88.7 8.0 o 7 4 0 21.3 4.2 5.7 o -7 5 0 585.3 561.0 33.0 o -6 5 0 12.1 9.0 8.4 < -5 5 0 6.8 3.7 7.2 < -4 5 0 16.5 0.1 5.8 < -3 5 0 22.1 3.4 4.9 o -2 5 0 21.3 24.3 4.8 o -1 5 0 1478.8 1222.7 36.6 o 0 5 0 347.6 347.3 12.4 o 1 5 0 45.4 16.6 5.5 o 2 5 0 1235.8 1371.7 31.7 o 3 5 0 897.3 931.5 25.3 o 4 5 0 44.3 23.8 5.9 o 5 5 0 113.9 85.0 10.2 o 6 5 0 123.8 116.8 13.4 o 7 5 0 149.4 128.1 15.6 o -7 6 0 181.5 149.2 18.8 o -6 6 0 137.5 105.9 15.3 o -5 6 0 24.8 10.5 8.9 < -4 6 0 313.1 377.0 16.7 o -3 6 0 492.2 489.3 20.2 o -2 6 0 284.3 247.0 12.6 o -1 6 0 5770.2 5855.0 126.2 o 0 6 0 2914.1 3188.8 67.0 o 1 6 0 1100.8 1118.5 29.5 o 2 6 0 431.4 374.7 17.8 o 3 6 0 149.6 125.3 10.8 o 4 6 0 382.9 395.0 17.8 o 5 6 0 25.2 12.3 9.0 < 6 6 0 347.2 320.9 23.8 o 7 6 0 96.8 80.1 14.1 o -6 7 0 31.0 14.7 10.6 < -5 7 0 61.9 78.7 11.4 o -4 7 0 233.3 275.6 15.2 o -3 7 0 393.9 422.4 18.6 o -2 7 0 2764.4 2832.2 66.3 o -1 7 0 952.4 963.1 27.8 o 0 7 0 55.2 42.6 7.8 o 1 7 0 84.6 87.4 9.0 o 2 7 0 316.9 287.2 16.4 o 3 7 0 104.5 70.2 9.9 o 4 7 0 28.3 29.5 8.9 o 5 7 0 152.6 108.9 16.6 o 6 7 0 9.5 0.0 9.8 < 7 7 0 70.6 44.4 13.5 o 8 7 0 264.3 218.2 32.8 o -6 8 0 36.3 4.5 15.2 < -5 8 0 6.9 11.8 9.1 < -4 8 0 109.2 87.8 13.4 o -3 8 0 107.3 107.4 14.4 o -2 8 0 857.7 888.8 37.2 o -1 8 0 739.8 742.4 27.8 o 0 8 0 795.6 812.9 28.9 o 1 8 0 2048.4 2124.5 56.6 o 2 8 0 3700.1 3767.7 102.8 o 3 8 0 76.6 25.4 12.1 o 4 8 0 17.2 12.3 9.5 < 5 8 0 241.6 237.8 21.1 o 6 8 0 33.7 19.2 11.8 < 7 8 0 42.8 42.7 13.2 o -4 9 0 76.4 58.7 19.0 o -3 9 0 231.0 206.0 20.3 o -2 9 0 7.1 0.3 9.3 < -1 9 0 494.2 508.0 22.8 o 0 9 0 957.5 942.2 40.4 o 1 9 0 1025.8 1016.1 43.2 o 2 9 0 803.2 828.7 38.1 o 3 9 0 41.4 29.8 11.8 o 4 9 0 1008.6 972.5 46.6 o 5 9 0 26.8 5.6 11.7 < 6 9 0 90.9 44.6 15.2 o -4 10 0 23.1 5.5 17.9 < -3 10 0 236.4 180.0 29.0 o -2 10 0 47.8 24.8 16.4 < -1 10 0 16.3 0.7 14.0 < 0 10 0 299.6 261.2 23.1 o 1 10 0 239.1 254.4 20.6 o 2 10 0 694.9 707.1 36.4 o 3 10 0 84.7 63.2 15.1 o 4 10 0 1391.1 1352.8 58.8 o 5 10 0 824.8 734.0 44.2 o -2 11 0 180.3 92.6 29.1 o -1 11 0 168.1 122.1 27.1 o 0 11 0 98.7 90.3 15.3 o 1 11 0 35.2 29.2 12.0 < 2 11 0 89.8 46.6 15.2 o 3 11 0 40.0 52.1 19.6 < -3 -11 1 145.9 111.9 25.1 o -2 -11 1 21.4 15.9 10.8 < -1 -11 1 32.9 12.5 11.4 < 0 -11 1 92.3 76.8 21.2 o 1 -11 1 307.7 217.2 35.2 o 2 -11 1 29.0 1.2 17.0 < -5 -10 1 103.5 43.7 24.1 o -4 -10 1 201.1 223.0 21.3 o -3 -10 1 295.5 282.5 24.5 o -2 -10 1 851.4 893.2 41.1 o -1 -10 1 308.5 326.6 23.3 o 0 -10 1 13.4 4.9 9.8 < 1 -10 1 279.8 211.2 32.2 o 2 -10 1 37.9 14.0 11.3 o 3 -10 1 618.9 452.0 34.7 o -6 -9 1 52.7 10.3 12.9 o -5 -9 1 12.4 3.7 10.9 < -4 -9 1 1541.1 1533.3 60.3 o -3 -9 1 725.1 706.0 37.1 o -2 -9 1 215.9 188.2 19.3 o -1 -9 1 242.3 217.8 19.7 o 0 -9 1 731.5 702.5 28.9 o 1 -9 1 31.3 19.9 9.7 o 2 -9 1 37.0 17.5 10.4 o 3 -9 1 22.1 7.8 10.0 < 4 -9 1 33.6 26.9 15.8 < -7 -8 1 22.2 6.1 12.4 < -6 -8 1 15.7 0.3 10.1 < -5 -8 1 21.2 1.4 10.0 < -4 -8 1 170.1 178.5 17.5 o -3 -8 1 16.5 4.1 8.5 < -2 -8 1 494.1 440.3 27.3 o -1 -8 1 99.8 104.5 10.8 o 0 -8 1 2356.5 2311.2 63.4 o 1 -8 1 1427.3 1471.2 43.4 o 2 -8 1 221.4 275.7 18.3 o 3 -8 1 40.6 23.4 10.9 o 4 -8 1 10.3 3.6 8.9 < 5 -8 1 82.7 59.5 19.1 o 6 -8 1 72.0 42.0 16.9 o -8 -7 1 148.1 136.1 25.2 o -7 -7 1 9.2 3.4 9.3 < -6 -7 1 70.1 78.4 13.0 o -5 -7 1 61.2 28.6 11.2 o -4 -7 1 43.9 24.0 8.1 o -3 -7 1 111.9 107.5 10.4 o -2 -7 1 989.2 848.9 32.7 o -1 -7 1 983.6 1069.2 32.0 o 0 -7 1 29.6 17.4 6.9 o 1 -7 1 1790.7 1950.8 49.5 o 2 -7 1 694.5 795.5 25.4 o 3 -7 1 2.6 4.7 5.8 < 4 -7 1 301.1 324.3 17.4 o 5 -7 1 84.9 112.0 13.0 o 6 -7 1 29.5 0.1 10.3 < -8 -6 1 85.7 20.7 20.6 o -7 -6 1 61.9 47.8 12.2 o -6 -6 1 15.5 0.1 8.8 < -5 -6 1 106.8 82.8 10.4 o -4 -6 1 188.0 177.9 12.6 o -3 -6 1 1.4 1.0 5.8 < -2 -6 1 208.8 124.9 12.4 o -1 -6 1 2032.2 2097.7 56.9 o 0 -6 1 112.4 120.2 7.9 o 1 -6 1 221.7 295.4 10.7 o 2 -6 1 8.1 4.4 5.0 < 3 -6 1 46.3 41.8 7.5 o 4 -6 1 4.3 0.1 5.9 < 5 -6 1 1926.4 1983.0 64.5 o 6 -6 1 252.9 218.6 20.8 o 7 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-1 1 39619.6 38440.1 819.1 o 2 -1 1 15130.8 14692.9 314.5 o 3 -1 1 1277.8 1250.2 31.2 o 4 -1 1 7.1 14.5 4.5 < 5 -1 1 1962.6 1890.0 52.3 o 6 -1 1 12.7 0.6 6.4 < 7 -1 1 50.9 77.1 10.4 o 8 -1 1 77.6 63.2 12.7 o 9 -1 1 72.6 74.0 19.3 o -9 0 1 40.4 0.1 12.0 o -8 0 1 254.9 303.9 20.3 o -7 0 1 6.3 1.2 8.1 < -6 0 1 43.1 34.0 9.0 o -5 0 1 259.8 221.1 11.4 o -4 0 1 505.0 501.2 16.1 o -3 0 1 4925.9 5099.0 105.9 o -2 0 1 36242.8 35082.3 747.3 o -1 0 1 6322.6 5870.0 132.0 o 0 0 1 18812.1 26986.8 439.0 o 1 0 1 1058.2 1126.8 23.6 o 2 0 1 5.2 11.3 2.8 < 3 0 1 2965.4 2984.0 65.9 o 4 0 1 21.8 8.1 4.6 o 5 0 1 564.2 610.1 18.6 o 6 0 1 137.4 147.4 11.0 o 7 0 1 46.9 28.6 9.8 o 8 0 1 12.2 6.9 9.0 < 9 0 1 7.5 2.1 11.4 < -8 1 1 15.7 15.1 9.7 < -7 1 1 199.1 269.2 17.5 o -6 1 1 1918.9 1890.5 60.5 o -5 1 1 81.2 52.3 6.8 o -4 1 1 4881.6 4818.4 106.7 o -3 1 1 4944.8 4685.8 106.4 o -2 1 1 19301.4 18207.1 399.6 o -1 1 1 33362.2 32225.9 688.1 o 0 1 1 11696.2 11763.7 242.4 o 1 1 1 781.9 783.0 18.1 o 2 1 1 4205.0 3752.6 90.0 o 3 1 1 10.7 12.1 3.3 o 4 1 1 408.1 436.6 14.3 o 5 1 1 90.7 79.1 7.2 o 6 1 1 332.7 277.8 16.7 o 7 1 1 9.6 5.3 7.5 < 8 1 1 114.2 87.4 14.2 o 9 1 1 31.8 3.6 12.2 < -8 2 1 143.4 175.3 16.9 o -7 2 1 122.4 117.3 14.6 o -6 2 1 78.1 39.9 11.4 o -5 2 1 3696.3 3561.5 88.5 o -4 2 1 2794.1 2726.8 64.1 o -3 2 1 3126.5 3139.1 69.5 o -2 2 1 7072.8 6943.0 149.2 o -1 2 1 1123.4 1137.7 26.0 o 0 2 1 39737.1 37101.8 819.0 o 1 2 1 3290.4 3369.5 70.4 o 2 2 1 780.6 889.4 19.9 o 3 2 1 2440.5 2365.9 55.6 o 4 2 1 39.3 75.3 5.6 o 5 2 1 1009.5 980.0 28.8 o 6 2 1 334.7 327.9 14.6 o 7 2 1 177.4 136.7 13.3 o 8 2 1 29.9 6.2 10.1 < 9 2 1 7.2 15.8 16.0 < -8 3 1 2.3 5.4 10.7 < -7 3 1 66.3 103.3 11.8 o -6 3 1 56.2 58.6 10.6 o -5 3 1 613.3 615.2 28.5 o -4 3 1 16.5 17.7 4.4 o -3 3 1 4458.8 4120.4 97.6 o -2 3 1 4634.6 4624.7 100.1 o -1 3 1 7.3 2.3 3.3 < 0 3 1 1217.1 1166.0 28.5 o 1 3 1 1054.8 1099.6 25.4 o 2 3 1 232.0 187.9 8.8 o 3 3 1 357.3 332.4 12.5 o 4 3 1 569.8 729.2 18.4 o 5 3 1 111.7 89.8 7.3 o 6 3 1 210.6 169.6 10.6 o 7 3 1 22.7 11.9 7.3 o 8 3 1 10.0 0.2 12.9 < 9 3 1 100.1 93.1 19.7 o -8 4 1 29.3 5.3 11.9 < -7 4 1 37.2 26.3 10.3 o -6 4 1 83.7 65.6 11.8 o -5 4 1 6.3 7.1 7.3 < -4 4 1 13.0 6.7 4.6 < -3 4 1 95.5 44.2 6.8 o -2 4 1 145.0 123.3 7.7 o -1 4 1 89.8 66.9 6.1 o 0 4 1 2321.1 2477.8 52.4 o 1 4 1 2896.2 2870.7 64.2 o 2 4 1 556.2 611.1 16.5 o 3 4 1 20.1 16.2 4.4 o 4 4 1 1789.3 1987.7 44.6 o 5 4 1 182.1 182.1 10.3 o 6 4 1 190.2 151.3 11.0 o 7 4 1 17.7 2.5 6.7 < 8 4 1 37.2 13.5 15.1 < -7 5 1 31.3 1.6 10.4 o -6 5 1 48.2 43.3 10.9 o -5 5 1 42.8 41.7 9.7 o -4 5 1 60.5 31.1 7.6 o -3 5 1 7038.3 7144.0 156.5 o -2 5 1 2334.7 2582.9 55.0 o -1 5 1 4577.2 4778.1 100.4 o 0 5 1 1406.7 1354.3 34.8 o 1 5 1 368.0 376.5 13.0 o 2 5 1 704.6 683.4 20.4 o 3 5 1 25.9 12.5 4.9 o 4 5 1 341.4 288.5 13.9 o 5 5 1 943.2 959.4 28.5 o 6 5 1 16.3 11.6 6.6 < 7 5 1 34.8 0.3 10.1 o -7 6 1 25.6 31.0 11.8 < -6 6 1 181.4 204.0 17.8 o -5 6 1 30.3 21.5 9.1 o -4 6 1 609.9 642.1 29.2 o -3 6 1 1003.2 1053.7 29.1 o -2 6 1 44.4 28.4 6.2 o -1 6 1 328.8 402.9 13.3 o 0 6 1 430.5 486.9 15.3 o 1 6 1 241.4 258.3 10.7 o 2 6 1 369.3 409.4 14.1 o 3 6 1 1364.1 1356.0 36.1 o 4 6 1 51.2 56.2 10.4 o 5 6 1 164.8 211.0 16.1 o 6 6 1 951.2 1080.3 42.0 o 7 6 1 25.0 0.1 10.8 < 8 6 1 16.8 2.1 15.9 < -6 7 1 138.4 99.0 16.3 o -5 7 1 105.2 62.9 13.9 o -4 7 1 512.5 498.4 27.7 o -3 7 1 567.3 540.4 23.0 o -2 7 1 2387.9 2392.8 58.7 o -1 7 1 1960.9 2144.5 49.1 o 0 7 1 5516.5 5643.0 122.0 o 1 7 1 60.4 29.2 8.0 o 2 7 1 530.6 532.1 21.4 o 3 7 1 1231.7 1273.5 46.1 o 4 7 1 52.2 55.1 11.1 o 5 7 1 92.7 104.9 13.3 o 6 7 1 325.5 390.6 24.0 o 7 7 1 61.1 34.3 13.7 o 8 7 1 43.4 41.7 13.9 o -6 8 1 95.3 57.0 21.5 o -5 8 1 141.3 92.5 15.6 o -4 8 1 19.0 0.4 9.3 < -3 8 1 183.9 178.3 13.5 o -2 8 1 367.0 366.5 16.1 o -1 8 1 3218.2 3215.0 81.3 o 0 8 1 2504.3 2630.6 66.1 o 1 8 1 139.9 139.2 15.3 o 2 8 1 2025.7 2012.4 65.8 o 3 8 1 63.3 79.5 11.6 o 4 8 1 296.8 264.3 22.6 o 5 8 1 13.3 13.9 9.3 < 6 8 1 31.8 5.5 11.7 < 7 8 1 75.1 33.5 13.7 o -5 9 1 127.2 117.1 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