data_I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_intensity_meas _refln_intensity_calc _refln_intensity_sigma _refln_observed_status 4 -2 0 2061.0 1955.3 30.0 o 4 0 0 781.0 705.6 13.0 o 4 2 0 276.0 233.7 5.0 o 4 4 0 1995.0 1866.4 27.0 o 5 -3 0 3037.0 2821.4 42.0 o 5 -1 0 22.0 22.8 2.0 o 5 1 0 1633.0 1455.6 26.0 o 5 3 0 3803.0 3704.3 65.0 o 5 5 0 5710.0 5611.8 84.0 o 6 -4 0 13375.0 12915.6 192.0 o 6 -2 0 4388.0 4386.1 59.0 o 6 0 0 12187.0 11538.7 170.0 o 6 2 0 13974.0 13131.8 212.0 o 6 4 0 806.0 824.3 13.0 o 6 6 0 721.0 741.9 12.0 o 7 -5 0 3421.0 3226.5 48.0 o 7 -3 0 1104.0 1072.1 17.0 o 7 -1 0 5676.0 5423.3 83.0 o 7 1 0 1581.0 1537.4 24.0 o 7 3 0 734.0 666.0 12.0 o 7 5 0 1642.0 1606.9 23.0 o 7 7 0 2191.0 2083.9 33.0 o 8 -6 0 4881.0 4561.0 65.0 o 8 -4 0 2380.0 2391.1 32.0 o 8 -2 0 690.0 698.2 11.0 o 8 0 0 9551.0 9270.3 136.0 o 8 2 0 15052.0 14382.9 224.0 o 8 4 0 1095.0 1002.4 19.0 o 8 6 0 2261.0 2062.8 35.0 o 8 8 0 5759.0 5510.8 83.0 o 9 -7 0 42537.0 42288.4 681.0 o 9 -5 0 9536.0 9339.3 128.0 o 9 -3 0 1971.0 1831.2 27.0 o 9 -1 0 2523.0 2427.8 35.0 o 9 1 0 24989.0 23712.6 379.0 o 9 3 0 2605.0 2582.9 37.0 o 9 5 0 262.0 238.4 6.0 o 9 7 0 4096.0 3846.6 59.0 o 9 9 0 95.0 98.3 4.0 o 10 -8 0 217.0 229.1 7.0 o 10 -6 0 394.0 366.6 9.0 o 10 -4 0 2957.0 2798.1 40.0 o 10 -2 0 500.0 474.2 10.0 o 10 0 0 380.0 360.2 8.0 o 10 2 0 736.0 747.5 13.0 o 10 4 0 12601.0 12054.5 190.0 o 10 6 0 -1.0 0.2 4.0 < 10 8 0 76.0 59.2 5.0 o 10 10 0 23.0 14.4 3.0 o 11 -9 0 5021.0 4890.4 80.0 o 11 -7 0 184.0 182.7 7.0 o 11 -5 0 1703.0 1656.2 24.0 o 11 -3 0 15.0 8.8 5.0 o 11 -1 0 9215.0 8918.1 125.0 o 11 1 0 1173.0 1187.2 17.0 o 11 3 0 523.0 515.6 11.0 o 11 5 0 11761.0 11251.6 161.0 o 11 7 0 210.0 185.8 7.0 o 11 9 0 1707.0 1587.4 30.0 o 11 11 0 934.0 915.5 21.0 o 12 -10 0 5445.0 5384.4 89.0 o 12 -8 0 2615.0 2603.8 37.0 o 12 -6 0 4.0 2.3 4.0 < 12 -4 0 21.0 17.2 4.0 o 12 -2 0 11216.0 10816.8 165.0 o 12 0 0 1306.0 1332.0 18.0 o 12 2 0 2896.0 2820.3 42.0 o 12 4 0 4304.0 4211.5 64.0 o 12 6 0 2742.0 2679.7 39.0 o 12 8 0 3594.0 3513.1 56.0 o 12 10 0 23.0 38.1 7.0 o 12 12 0 88.0 97.0 10.0 o 13 -11 0 2204.0 2202.1 42.0 o 13 -9 0 3132.0 3085.0 52.0 o 13 -7 0 127.0 136.8 7.0 o 13 -5 0 1134.0 1119.5 18.0 o 13 -3 0 2955.0 2980.6 41.0 o 13 -1 0 2703.0 2624.1 38.0 o 13 1 0 45.0 46.5 5.0 o 13 3 0 2712.0 2658.5 40.0 o 13 5 0 590.0 598.4 14.0 o 13 7 0 4413.0 4388.6 70.0 o 13 9 0 6633.0 6534.5 112.0 o 13 11 0 11504.0 11287.1 230.0 o 13 13 0 369.0 370.8 18.0 o 14 -12 0 14.0 13.7 2.0 o 14 -10 0 3191.0 3307.7 57.0 o 14 -8 0 1947.0 1980.8 33.0 o 14 -6 0 1427.0 1442.6 26.0 o 14 -4 0 4263.0 4347.4 64.0 o 14 -2 0 468.0 471.5 12.0 o 14 0 0 7554.0 7463.9 102.0 o 14 2 0 1864.0 1730.0 28.0 o 14 4 0 2108.0 2033.0 38.0 o 14 6 0 5212.0 5065.6 93.0 o 14 8 0 915.0 913.8 23.0 o 14 10 0 3591.0 3536.6 70.0 o 14 12 0 1584.0 1638.5 37.0 o 14 14 0 836.0 825.4 29.0 o 15 -13 0 1900.0 1870.3 47.0 o 15 -11 0 210.0 219.0 11.0 o 15 -9 0 858.0 841.8 18.0 o 15 -7 0 8887.0 9136.2 158.0 o 15 -5 0 7730.0 7726.0 138.0 o 15 -3 0 5370.0 5376.5 86.0 o 15 -1 0 1453.0 1390.3 27.0 o 15 1 0 2034.0 2011.8 35.0 o 15 3 0 676.0 647.6 17.0 o 15 5 0 1147.0 1139.0 29.0 o 15 7 0 4786.0 4621.4 87.0 o 15 9 0 3480.0 3452.5 71.0 o 15 11 0 17.0 7.5 10.0 < 15 13 0 4364.0 4321.3 93.0 o 15 15 0 23.0 13.9 12.0 < 16 -14 0 497.0 524.6 22.0 o 16 -12 0 10.0 4.5 5.0 < 16 -10 0 1089.0 1071.0 28.0 o 16 -8 0 4490.0 4689.1 82.0 o 16 -6 0 2440.0 2390.4 48.0 o 16 -4 0 1.0 0.3 7.0 < 16 -2 0 5160.0 5048.0 84.0 o 16 0 0 977.0 965.8 21.0 o 16 2 0 8514.0 8493.5 152.0 o 16 4 0 3842.0 3763.2 73.0 o 16 6 0 73.0 48.8 11.0 o 16 8 0 3044.0 2976.5 64.0 o 16 10 0 2242.0 2232.6 47.0 o 16 12 0 42.0 42.5 12.0 o 16 14 0 1091.0 1068.3 38.0 o 16 16 0 9.0 3.5 15.0 < 17 -15 0 644.0 672.6 25.0 o 17 -13 0 2931.0 2963.0 54.0 o 17 -11 0 1846.0 1827.1 41.0 o 17 -9 0 470.0 415.8 17.0 o 17 -7 0 352.0 306.5 16.0 o 17 -5 0 5767.0 5723.0 95.0 o 17 -3 0 20.0 22.4 8.0 o 17 -1 0 637.0 628.6 16.0 o 17 1 0 1999.0 1991.0 38.0 o 17 3 0 11.0 0.4 5.0 o 17 5 0 30.0 10.0 6.0 o 17 7 0 1932.0 1950.3 45.0 o 17 9 0 2405.0 2448.0 56.0 o 17 11 0 186.0 176.1 16.0 o 17 13 0 7249.0 7354.8 153.0 o 17 15 0 265.0 265.0 22.0 o 17 17 0 1559.0 1509.7 46.0 o 18 -16 0 316.0 340.8 22.0 o 18 -14 0 13945.0 13775.8 328.0 o 18 -12 0 2424.0 2415.3 58.0 o 18 -10 0 359.0 344.4 16.0 o 18 -8 0 920.0 912.3 25.0 o 18 -6 0 1543.0 1540.4 30.0 o 18 -4 0 4672.0 4560.5 79.0 o 18 -2 0 1135.0 1188.5 23.0 o 18 0 0 883.0 877.1 21.0 o 18 2 0 889.0 865.3 20.0 o 18 4 0 718.0 674.5 18.0 o 18 6 0 140.0 138.5 12.0 o 18 8 0 9.0 7.0 12.0 < 18 10 0 91.0 104.2 12.0 o 18 12 0 2242.0 2234.8 56.0 o 18 14 0 1260.0 1324.6 45.0 o 18 16 0 186.0 215.2 22.0 o 18 18 0 882.0 858.9 37.0 o 19 -17 0 2150.0 1965.6 67.0 o 19 -15 0 525.0 501.1 29.0 o 19 -13 0 344.0 372.7 21.0 o 19 -11 0 69.0 64.8 10.0 o 19 -9 0 600.0 594.4 20.0 o 19 -7 0 16.0 2.7 10.0 < 19 -5 0 18.0 21.3 9.0 < 19 -3 0 792.0 771.5 19.0 o 19 -1 0 26.0 13.0 9.0 o 19 1 0 111.0 106.8 10.0 o 19 3 0 149.0 132.3 8.0 o 19 5 0 690.0 680.5 21.0 o 19 7 0 9705.0 9592.0 195.0 o 19 9 0 129.0 102.0 14.0 o 19 11 0 1080.0 1051.2 33.0 o 19 13 0 8047.0 7777.7 188.0 o 19 15 0 248.0 225.9 23.0 o 19 17 0 179.0 168.7 19.0 o 19 19 0 790.0 748.1 38.0 o 20 -18 0 549.0 488.4 31.0 o 20 -16 0 1390.0 1304.8 52.0 o 20 -14 0 996.0 935.5 38.0 o 20 -12 0 802.0 834.9 32.0 o 20 -10 0 1165.0 1188.7 30.0 o 20 -8 0 8191.0 8084.3 152.0 o 20 -6 0 146.0 136.2 11.0 o 20 -4 0 507.0 485.6 16.0 o 20 -2 0 5266.0 5371.2 93.0 o 20 0 0 1141.0 1117.9 25.0 o 20 2 0 6957.0 6864.0 114.0 o 20 4 0 5707.0 5549.0 104.0 o 20 6 0 2499.0 2492.4 58.0 o 20 8 0 287.0 292.0 17.0 o 20 10 0 2242.0 2119.3 57.0 o 20 12 0 -10.0 0.4 16.0 < 20 14 0 32.0 28.5 19.0 < 20 16 0 146.0 110.8 22.0 o 20 18 0 1385.0 1305.5 56.0 o 20 20 0 576.0 548.4 33.0 o 21 -19 0 689.0 693.5 39.0 o 21 -17 0 2426.0 2346.8 82.0 o 21 -15 0 228.0 263.0 21.0 o 21 -13 0 1662.0 1660.2 51.0 o 21 -11 0 153.0 161.7 17.0 o 21 -9 0 2084.0 2113.5 41.0 o 21 -7 0 4894.0 4743.7 94.0 o 21 -5 0 2892.0 2774.6 55.0 o 21 -3 0 158.0 150.5 11.0 o 21 -1 0 7970.0 7944.0 145.0 o 21 1 0 3598.0 3564.3 68.0 o 21 3 0 1108.0 1085.4 24.0 o 21 5 0 460.0 452.9 15.0 o 21 7 0 544.0 495.2 21.0 o 21 9 0 2192.0 2220.8 52.0 o 21 11 0 484.0 491.3 25.0 o 21 13 0 99.0 91.4 19.0 o 21 15 0 1682.0 1625.0 56.0 o 21 17 0 229.0 225.1 26.0 o 21 19 0 1654.0 1596.1 68.0 o 21 21 0 208.0 203.3 29.0 o 22 -20 0 154.0 99.2 26.0 o 22 -18 0 27.0 20.1 18.0 < 22 -16 0 2427.0 2389.1 82.0 o 22 -14 0 149.0 153.5 21.0 o 22 -12 0 91.0 90.7 18.0 o 22 -10 0 176.0 144.5 16.0 o 22 -8 0 5040.0 4841.0 111.0 o 22 -6 0 497.0 484.8 19.0 o 22 -4 0 38.0 38.3 10.0 o 22 -2 0 106.0 108.7 12.0 o 22 0 0 73.0 82.4 12.0 o 22 2 0 2934.0 2926.6 54.0 o 22 4 0 3325.0 3190.0 65.0 o 22 6 0 1172.0 1104.8 28.0 o 22 8 0 2843.0 2738.1 69.0 o 22 10 0 106.0 127.2 17.0 o 22 12 0 12.0 4.9 16.0 < 22 14 0 305.0 251.3 24.0 o 22 16 0 822.0 751.1 38.0 o 22 18 0 1806.0 1737.2 66.0 o 22 20 0 811.0 866.3 42.0 o 22 22 0 5722.0 5182.8 190.0 o 23 -21 0 39.0 38.6 24.0 < 23 -19 0 505.0 500.9 31.0 o 23 -17 0 15.0 55.4 16.0 < 23 -15 0 1420.0 1434.5 54.0 o 23 -13 0 71.0 81.3 17.0 o 23 -11 0 1337.0 1218.4 41.0 o 23 -9 0 117.0 127.2 14.0 o 23 -7 0 241.0 244.3 15.0 o 23 -5 0 96.0 113.7 11.0 o 23 -3 0 770.0 806.8 22.0 o 23 -1 0 2170.0 2062.8 46.0 o 23 1 0 1517.0 1558.1 34.0 o 23 3 0 3990.0 3887.5 80.0 o 23 5 0 777.0 780.4 23.0 o 23 7 0 855.0 847.3 28.0 o 23 9 0 387.0 355.5 26.0 o 23 11 0 4250.0 4339.9 123.0 o 23 13 0 6334.0 6179.6 195.0 o 23 15 0 809.0 700.9 40.0 o 23 17 0 1076.0 973.3 48.0 o 23 19 0 1992.0 1889.5 78.0 o 23 21 0 16.0 0.6 25.0 < 23 23 0 80.0 56.1 25.0 o 24 -22 0 28.0 65.5 25.0 < 24 -20 0 134.0 101.7 26.0 o 24 -18 0 684.0 668.7 42.0 o 24 -16 0 148.0 120.0 22.0 o 24 -14 0 2096.0 2055.7 76.0 o 24 -12 0 1345.0 1370.5 47.0 o 24 -10 0 1261.0 1146.0 36.0 o 24 -8 0 150.0 160.7 17.0 o 24 -6 0 352.0 362.4 17.0 o 24 -4 0 5.0 6.6 11.0 < 24 -2 0 1533.0 1448.2 36.0 o 24 0 0 1181.0 1130.6 31.0 o 24 2 0 551.0 536.9 18.0 o 24 4 0 95.0 112.6 9.0 o 24 6 0 212.0 211.6 15.0 o 24 8 0 457.0 427.7 22.0 o 24 10 0 6.0 1.2 17.0 < 24 12 0 302.0 288.0 29.0 o 24 14 0 15.0 15.1 19.0 < 24 16 0 1866.0 1737.6 70.0 o 24 18 0 117.0 67.9 25.0 o 24 20 0 773.0 690.4 47.0 o 24 22 0 298.0 341.2 33.0 o 24 24 0 -16.0 28.3 31.0 < 25 -21 0 1482.0 1327.5 83.0 o 25 -19 0 1146.0 1165.0 63.0 o 25 -17 0 1329.0 1193.7 60.0 o 25 -15 0 43.0 24.3 19.0 o 25 -13 0 734.0 804.0 33.0 o 25 -11 0 77.0 78.7 20.0 o 25 -9 0 1388.0 1314.7 37.0 o 25 -7 0 2707.0 2673.1 71.0 o 25 -5 0 3431.0 3321.0 77.0 o 25 -3 0 841.0 836.2 26.0 o 25 -1 0 72.0 94.9 12.0 o 25 1 0 1169.0 1125.7 29.0 o 25 3 0 31.0 15.0 8.0 o 25 5 0 1400.0 1389.5 40.0 o 25 7 0 1102.0 1087.2 32.0 o 25 9 0 965.0 961.6 32.0 o 25 11 0 210.0 144.6 26.0 o 25 13 0 88.0 43.1 24.0 o 25 15 0 95.0 49.4 27.0 o 25 17 0 5.0 17.3 26.0 < 25 19 0 200.0 203.9 33.0 o 25 21 0 176.0 144.8 41.0 o 26 -20 0 738.0 788.3 50.0 o 26 -18 0 2.0 4.5 25.0 < 26 -16 0 1236.0 1189.6 51.0 o 26 -14 0 142.0 137.5 20.0 o 26 -12 0 4227.0 3981.3 135.0 o 26 -10 0 700.0 700.3 30.0 o 26 -8 0 1707.0 1742.7 47.0 o 26 -6 0 2088.0 2026.0 62.0 o 26 -4 0 892.0 813.3 27.0 o 26 -2 0 1725.0 1736.7 46.0 o 26 0 0 2285.0 2275.7 51.0 o 26 2 0 1125.0 1117.1 32.0 o 26 4 0 814.0 793.4 30.0 o 26 6 0 2356.0 2139.3 67.0 o 26 8 0 200.0 169.6 15.0 o 26 10 0 169.0 194.0 17.0 o 26 12 0 318.0 327.2 29.0 o 26 14 0 1119.0 1038.6 56.0 o 26 16 0 1011.0 1092.0 53.0 o 26 18 0 882.0 889.2 54.0 o 26 20 0 16.0 8.9 37.0 < 27 -19 0 1822.0 1779.8 85.0 o 27 -17 0 340.0 355.8 32.0 o 27 -15 0 1204.0 1079.2 52.0 o 27 -13 0 1443.0 1446.8 58.0 o 27 -11 0 63.0 53.0 20.0 o 27 -9 0 542.0 537.9 26.0 o 27 -7 0 11.0 13.2 17.0 < 27 -5 0 1049.0 968.9 37.0 o 27 -3 0 63.0 64.4 13.0 o 27 -1 0 348.0 325.4 17.0 o 27 1 0 472.0 442.7 18.0 o 27 3 0 350.0 349.9 21.0 o 27 5 0 26.0 56.7 13.0 < 27 7 0 1391.0 1255.4 50.0 o 27 9 0 295.0 309.4 22.0 o 27 11 0 2124.0 2052.0 75.0 o 27 13 0 2055.0 1802.1 74.0 o 27 15 0 95.0 79.5 26.0 o 27 17 0 46.0 36.8 27.0 < 27 19 0 -12.0 5.9 28.0 < 28 -18 0 260.0 256.2 29.0 o 28 -16 0 165.0 181.2 25.0 o 28 -14 0 1.0 8.8 21.0 < 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