#======================================================================= data_(I) #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_index_m_1 _refln_intensity_meas _refln_intensity_calc _refln_intensity_sigma _refln_observed_status -1 0 0 1 80072.0 73148.2 3191.9 o -2 0 0 2 5116.5 8122.7 858.4 o 5 0 0 -3 36929.3 35341.1 2206.1 o 4 0 0 -2 168075.0 156675.7 4427.7 o 3 0 0 -1 158086.0 159552.5 4310.0 o 2 0 0 0 2772.0 1003.7 619.2 o -1 0 0 3 3386.1 2632.9 676.2 o 8 0 0 -4 11204.2 11646.5 1232.1 o 7 0 0 -3 116472.0 120946.9 3795.0 o 6 0 0 -2 96304.7 98493.1 4617.7 o 5 0 0 -1 189800.0 172181.9 5079.8 o 4 0 0 0 696207.0 652342.8 6274.6 o 3 0 0 1 153844.0 155074.4 4267.5 o 10 0 0 -4 29877.1 30200.7 1991.2 o 9 0 0 -3 8089.2 9610.6 1082.9 o 8 0 0 -2 188495.0 186966.1 4636.8 o 7 0 0 -1 224363.0 224365.8 4973.5 o 6 0 0 0 36580.4 33873.7 2191.8 o 3 0 0 3 5041.0 5319.0 825.0 o 10 0 0 -2 37663.2 36351.9 2227.9 o 9 0 0 -1 82116.6 78795.0 3564.8 o 7 0 0 1 17859.7 15833.2 1721.3 o 14 0 0 -4 76778.9 83130.6 3120.0 o 13 0 0 -3 16767.7 15387.9 1496.9 o 12 0 0 -2 39952.0 37725.6 2618.4 o 11 0 0 -1 73636.2 87421.4 3066.4 o 9 0 0 1 3948.9 2521.0 730.2 o 15 0 0 -3 41828.4 42007.5 2339.7 o 14 0 0 -2 14189.6 19597.3 5315.1 o 13 0 0 -1 28934.0 28630.1 1969.8 o 10 0 0 2 7425.3 10841.5 999.6 o 17 0 0 -3 47746.6 47234.8 2499.8 o 4 1 0 -3 3561.7 5104.9 693.5 o 3 1 0 -2 69611.5 65729.3 2986.7 o 2 1 0 -1 620267.0 618902.1 6363.6 o 1 1 0 0 35002.7 36265.3 2162.8 o 0 1 0 1 568.3 1028.9 277.5 o -1 1 0 2 104989.0 112702.6 4860.3 o -2 1 0 3 9225.6 6905.7 1133.4 o -3 1 0 4 3476.3 1004.2 685.1 o 6 1 0 -3 17289.6 15907.3 1575.3 o 5 1 0 -2 190952.0 187697.2 4667.0 o 4 1 0 -1 57566.4 53646.8 2735.2 o 3 1 0 0 2204.3 2602.2 966.2 o 2 1 0 1 204928.0 220657.2 4816.6 o -1 1 0 4 10227.3 13299.4 1173.1 o 9 1 0 -4 18082.2 21772.4 1567.9 o 8 1 0 -3 56777.4 57338.3 2711.6 o 6 1 0 -1 609399.0 633491.1 6354.4 o 5 1 0 0 149158.0 153925.0 4209.7 o 4 1 0 1 31194.6 29696.8 2119.4 o 10 1 0 -3 14464.9 14220.3 1717.5 o 9 1 0 -2 96945.0 100409.1 3487.2 o 8 1 0 -1 48933.9 51691.7 2658.9 o 7 1 0 0 10745.4 10326.5 1233.6 o 6 1 0 1 10336.8 12106.7 1181.4 o 13 1 0 -4 36385.6 37589.9 2201.3 o 12 1 0 -3 85351.6 89883.7 3482.4 o 11 1 0 -2 122675.0 119509.9 3964.8 o 10 1 0 -1 68885.3 66348.0 3427.7 o 9 1 0 0 29511.8 33242.4 1979.0 o 6 1 0 3 4442.2 7767.2 774.5 o 5 1 0 4 8510.1 6879.8 1073.8 o 14 1 0 -3 10903.5 10221.2 1217.5 o 13 1 0 -2 49755.8 49770.5 3118.4 o 12 1 0 -1 9120.3 11140.6 1455.4 o 11 1 0 0 6655.3 6202.3 1055.7 o 16 1 0 -3 12003.4 10463.1 1268.7 o 15 1 0 -2 58888.7 58411.8 2756.7 o 17 1 0 -2 20155.5 18492.3 1646.8 o -1 2 0 1 24894.5 23833.0 2019.6 o -3 2 0 3 8545.2 7894.7 1096.3 o 5 2 0 -3 17059.0 16060.9 1515.1 o 4 2 0 -2 64257.2 60414.9 3183.8 o 3 2 0 -1 61573.5 60256.0 3067.0 o 0 2 0 2 14888.9 13259.9 1413.0 o 7 2 0 -3 51207.2 52734.4 2579.7 o 6 2 0 -2 46147.6 44547.5 2461.8 o 5 2 0 -1 97381.4 98522.8 3482.6 o 4 2 0 0 338736.0 334164.3 5738.6 o 3 2 0 1 62765.3 61059.7 2846.0 o 0 2 0 4 11653.2 11407.3 1263.0 o 10 2 0 -4 13660.9 14100.5 1355.8 o 9 2 0 -3 7485.7 6743.5 1688.9 o 8 2 0 -2 93281.4 92001.0 3585.6 o 7 2 0 -1 102938.0 97550.5 3574.2 o 6 2 0 0 12699.0 13145.1 1309.5 o 5 2 0 1 2436.4 2070.8 647.6 o 3 2 0 3 4953.3 4166.0 817.8 o 11 2 0 -3 37736.9 36082.3 2237.9 o 10 2 0 -2 12354.3 11966.6 1300.4 o 9 2 0 -1 61727.4 55877.8 3438.6 o 8 2 0 0 17022.4 19053.1 1510.8 o 4 2 0 4 6049.7 7987.6 903.8 o 14 2 0 -4 46078.9 46337.7 2451.4 o 12 2 0 -2 23467.2 21289.3 1786.2 o 11 2 0 -1 42250.8 41103.3 2359.7 o 10 2 0 0 10574.0 9716.5 1248.4 o 7 2 0 3 5390.5 5081.1 853.1 o 15 2 0 -3 20337.6 20230.0 1794.0 o 14 2 0 -2 7651.0 5221.8 1014.7 o 13 2 0 -1 16182.4 17258.3 1485.8 o 10 2 0 2 6130.9 8036.0 963.1 o 18 2 0 -4 35468.2 31715.9 2158.3 o 17 2 0 -3 23620.6 27931.7 1785.9 o 5 3 0 -4 3562.9 1914.9 693.6 o 3 3 0 -2 12746.4 13056.2 1309.6 o 2 3 0 -1 164950.0 171835.1 4394.4 o 1 3 0 0 4008.2 3084.7 747.1 o 0 3 0 1 687.5 235.2 305.2 o 5 3 0 -2 37484.8 39075.0 2226.5 o 4 3 0 -1 10660.6 9593.2 1197.7 o 3 3 0 0 2378.5 2049.6 597.9 o 2 3 0 1 39553.3 42640.4 2275.2 o 1 3 0 2 4692.3 6475.0 813.8 o -1 3 0 4 4200.3 5675.6 753.1 o 8 3 0 -3 15810.5 15110.3 1478.7 o 6 3 0 -1 199657.0 196358.7 4772.1 o 5 3 0 0 23759.1 28487.8 1778.8 o 9 3 0 -2 15477.8 18186.8 1478.0 o 8 3 0 -1 4943.5 6833.6 1019.5 o 7 3 0 0 6012.5 7126.6 922.7 o 12 3 0 -3 21969.2 24753.0 1716.4 o 11 3 0 -2 57643.2 59870.4 2741.8 o 10 3 0 -1 25879.2 21238.3 1859.7 o 9 3 0 0 6525.4 4956.5 1476.7 o 15 3 0 -2 24136.7 26032.2 2007.3 o 17 3 0 -2 12080.2 7171.7 1272.8 o -18 0 1 3 28757.4 31286.0 1960.3 o -14 0 1 1 40332.7 43267.6 2321.6 o -17 0 1 4 28116.6 25574.5 1931.7 o -14 0 1 3 53370.2 61550.4 2661.4 o -15 0 1 4 30733.6 32879.3 2019.6 o -8 0 1 -1 3900.0 3497.7 725.7 o -10 0 1 1 217856.0 215606.1 4910.2 o -11 0 1 2 73777.4 81033.8 3069.3 o -12 0 1 3 15595.0 17766.3 1458.6 o -13 0 1 4 15178.2 14429.7 1426.7 o -3 0 1 -4 22227.8 20157.2 1720.5 o -4 0 1 -3 20701.5 23588.3 1686.3 o -6 0 1 -1 30733.6 24444.1 2373.7 o -7 0 1 0 171819.0 178628.8 4468.4 o -10 0 1 3 35366.6 32758.8 2275.5 o -11 0 1 4 18036.5 22379.1 1557.9 o -3 0 1 -2 20320.5 13743.1 1656.4 o -4 0 1 -1 103182.0 107346.5 3578.4 o -5 0 1 0 206652.0 198070.7 4827.8 o -6 0 1 1 224344.0 209662.5 4982.8 o -7 0 1 2 202653.0 195434.8 4789.8 o 1 0 1 -4 1610.4 1850.1 467.1 o -1 0 1 -2 8764.7 14099.3 1089.7 o -2 0 1 -1 16205.3 12609.8 1474.1 o -3 0 1 0 464497.0 465737.6 6256.5 o -4 0 1 1 118047.0 112519.9 3800.0 o -6 0 1 3 11050.2 11027.0 1217.3 o -7 0 1 4 5036.7 4980.0 864.4 o 1 0 1 -2 48101.3 45379.4 2500.3 o -1 0 1 0 421707.0 445221.3 6078.3 o -2 0 1 1 9285.3 11346.7 1121.6 o -3 0 1 2 70538.0 71196.1 3011.8 o -4 0 1 3 39676.7 37897.9 2286.7 o 4 0 1 -3 131073.0 135046.1 3982.4 o 3 0 1 -2 177047.0 187269.0 4527.5 o 2 0 1 -1 86712.6 91888.9 3303.9 o 6 0 1 -3 6392.0 7646.5 930.6 o 5 0 1 -2 57149.7 63576.9 2720.5 o 4 0 1 -1 203473.0 212681.0 4781.5 o 3 0 1 0 319677.0 325380.1 5631.4 o -1 0 1 4 5682.1 3228.9 875.9 o 8 0 1 -3 110849.0 113593.4 3695.6 o 7 0 1 -2 184015.0 181557.5 4598.6 o 6 0 1 -1 404585.0 405965.5 6029.9 o 5 0 1 0 57326.7 61809.8 2719.9 o 4 0 1 1 78556.9 80749.3 3155.9 o 10 0 1 -3 75977.4 80269.0 3114.7 o 8 0 1 -1 34458.5 36130.3 2806.7 o 7 0 1 0 75674.5 78514.3 3097.5 o 6 0 1 1 6962.2 8051.6 967.9 o 13 0 1 -4 16460.9 18440.2 1483.2 o 12 0 1 -3 28207.2 34690.5 1934.8 o 10 0 1 -1 179937.0 182717.3 4555.8 o 14 0 1 -3 74365.3 78735.9 8802.8 o 17 0 1 -4 38013.3 35354.6 2347.4 o 18 0 1 -3 68738.4 71762.8 3093.7 o -16 1 1 2 80485.7 83135.2 3444.1 o -13 1 1 1 15510.2 15868.6 1439.7 o -15 1 1 3 13041.6 11437.9 1333.9 o -11 1 1 1 8188.4 7366.0 1062.3 o -12 1 1 2 105898.0 108046.6 3618.7 o -13 1 1 3 38891.8 38998.9 2295.5 o -14 1 1 4 8928.4 11453.1 1141.4 o -4 1 1 -4 6751.9 5652.2 976.2 o -5 1 1 -3 8094.6 9086.1 1043.7 o -7 1 1 -1 2566.4 702.7 589.7 o -8 1 1 0 69733.0 69986.4 2989.3 o -9 1 1 1 167379.0 157743.1 4418.5 o -10 1 1 2 11233.9 10486.8 1233.7 o -11 1 1 3 18138.7 14697.8 1880.1 o -12 1 1 4 10980.9 10280.4 1217.7 o -2 1 1 -4 17329.1 21013.3 1527.0 o -4 1 1 -2 2738.4 1222.1 609.1 o -5 1 1 -1 72792.0 68051.4 4079.4 o -6 1 1 0 21292.6 21673.6 1695.6 o -7 1 1 1 16874.0 16324.5 1512.0 o -8 1 1 2 98388.9 97104.0 3519.4 o -9 1 1 3 45855.9 48503.2 2454.0 o -10 1 1 4 12775.8 14863.3 1311.2 o -2 1 1 -2 64709.2 65214.9 2884.7 o -3 1 1 -1 43280.6 49203.2 2454.9 o -4 1 1 0 71102.2 63157.7 3013.1 o -5 1 1 1 386275.0 368279.2 5954.1 o -6 1 1 2 120895.0 110066.0 3852.5 o 2 1 1 -4 14452.8 19460.9 1416.2 o 1 1 1 -3 1354.2 1712.9 465.9 o -1 1 1 -1 289519.0 265144.7 5456.0 o -2 1 1 0 325562.0 316682.6 5671.6 o -3 1 1 1 137478.0 132494.2 4063.8 o -4 1 1 2 19365.5 21892.8 1611.5 o -5 1 1 3 13192.8 11999.4 1346.2 o 3 1 1 -3 2868.7 1750.0 622.4 o 2 1 1 -2 198809.0 209179.5 4744.2 o 1 1 1 -1 302071.0 313790.1 5529.1 o 0 1 1 0 4401.0 4844.8 770.9 o -1 1 1 1 238242.0 240459.0 5086.0 o -2 1 1 2 152740.0 147118.0 4252.1 o 6 1 1 -4 7163.9 7487.9 1063.1 o 5 1 1 -3 46259.4 50010.0 2460.5 o 4 1 1 -2 44990.7 49793.8 2426.5 o 3 1 1 -1 61009.0 78000.7 2815.8 o 2 1 1 0 142114.0 142626.1 4116.6 o -2 1 1 4 6440.1 8252.3 963.0 o 6 1 1 -2 115192.0 120055.4 3760.6 o 5 1 1 -1 307370.0 314413.3 5599.5 o 4 1 1 0 128824.0 123633.6 3948.1 o 3 1 1 1 5241.8 5526.9 841.3 o 10 1 1 -4 35265.1 38970.1 2155.8 o 9 1 1 -3 105086.0 100820.6 3604.8 o 8 1 1 -2 124270.0 117458.4 3913.0 o 7 1 1 -1 64867.0 67803.7 2888.2 o 6 1 1 0 49461.8 45242.7 2584.3 o 5 1 1 1 36119.0 33572.6 2185.6 o 12 1 1 -4 14558.8 15070.3 1399.7 o 11 1 1 -3 5995.4 6323.0 899.7 o 10 1 1 -2 12283.3 14857.8 1330.0 o 9 1 1 -1 65551.4 66598.5 2898.3 o 8 1 1 0 44390.3 46967.9 2414.5 o 7 1 1 1 4236.7 2317.1 756.3 o 5 1 1 3 8632.3 8026.4 1077.8 o 14 1 1 -4 15530.1 13165.6 1443.1 o 13 1 1 -3 59126.8 57898.8 2762.3 o 12 1 1 -2 211140.0 214558.9 4852.3 o 16 1 1 -4 30716.1 28203.9 2036.5 o 15 1 1 -3 7586.4 8090.8 1010.4 o 16 1 1 -2 61533.8 69031.4 2818.0 o -14 2 1 1 22623.2 23604.2 1738.7 o -17 2 1 4 10739.2 14886.6 1202.1 o -14 2 1 3 30126.5 30448.4 2020.3 o -15 2 1 4 13312.5 16729.1 1338.4 o -10 2 1 1 131914.0 124517.3 3987.9 o -11 2 1 2 39832.2 36814.7 2307.1 o -12 2 1 3 12980.0 8882.5 1330.7 o -13 2 1 4 10259.7 9269.6 1181.0 o -3 2 1 -4 14998.9 10846.3 1435.3 o -4 2 1 -3 15129.0 15031.9 1426.8 o -6 2 1 -1 10229.3 9964.8 1197.5 o -7 2 1 0 90799.8 84525.9 3405.0 o -8 2 1 1 11107.1 9382.7 1228.8 o -10 2 1 3 14220.6 13214.2 1416.7 o -3 2 1 -2 2351.3 3036.4 605.2 o -4 2 1 -1 40787.8 41182.3 2314.5 o -5 2 1 0 102618.0 102337.2 3575.0 o -6 2 1 1 117622.0 107200.6 3800.0 o -7 2 1 2 94667.0 92505.6 3439.9 o -8 2 1 3 45603.6 40838.4 2447.3 o 1 2 1 -4 1654.1 1685.6 473.4 o -2 2 1 -1 5838.5 4644.7 895.5 o -3 2 1 0 249370.0 243808.6 5183.5 o -4 2 1 1 46053.2 39381.8 2450.7 o -5 2 1 2 3948.9 1668.8 730.2 o -6 2 1 3 2855.8 4403.5 621.0 o 3 2 1 -4 1390.5 997.5 434.1 o 1 2 1 -2 14201.5 12628.0 1380.0 o 0 2 1 -1 47939.1 49716.4 2496.0 o -1 2 1 0 203302.0 222924.7 4779.4 o -2 2 1 1 3761.4 4120.2 712.7 o -3 2 1 2 25571.2 26378.1 1851.8 o -4 2 1 3 17059.0 15079.4 1522.9 o 4 2 1 -3 54079.5 52103.6 2660.4 o 3 2 1 -2 74796.8 74608.6 3090.4 o 2 2 1 -1 30779.2 44296.0 2017.6 o 0 2 1 1 104872.0 104250.7 3601.1 o -1 2 1 2 6575.6 8066.3 953.6 o 7 2 1 -4 4378.5 4733.7 792.7 o 5 2 1 -2 28348.5 26213.2 1963.2 o 4 2 1 -1 70108.4 68190.3 2997.3 o 3 2 1 0 150645.0 147324.3 4238.4 o 2 2 1 1 5858.4 5720.6 932.3 o -1 2 1 4 4244.5 2521.0 896.5 o 8 2 1 -3 58148.5 51671.1 2749.0 o 7 2 1 -2 84937.3 77942.8 3275.8 o 6 2 1 -1 227224.0 220876.1 5005.1 o 4 2 1 1 33423.2 31550.9 2106.1 o 1 2 1 4 2431.5 4393.6 574.0 o 11 2 1 -4 37857.5 38783.5 2233.7 o 10 2 1 -3 34514.2 35230.6 2132.8 o 8 2 1 -1 13089.6 10453.0 1329.4 o 7 2 1 0 33697.9 30813.3 2114.7 o 4 2 1 3 4869.3 6949.1 810.8 o 3 2 1 4 5507.1 3384.8 1830.0 o 13 2 1 -4 9557.0 11183.0 1136.0 o 12 2 1 -3 18635.0 16962.7 1594.4 o 10 2 1 -1 99717.0 102341.4 3524.1 o 15 2 1 -4 36172.2 27690.2 2187.2 o 14 2 1 -3 43777.2 38953.9 2987.8 o 17 2 1 -4 13363.4 19431.1 1442.7 o -16 3 1 2 34084.5 35473.0 2141.6 o -11 3 1 1 11178.8 8375.6 1230.7 o -12 3 1 2 31134.6 36245.8 2096.2 o -13 3 1 3 8796.6 8229.9 1088.0 o -5 3 1 -3 5195.5 3759.3 852.0 o -8 3 1 0 19309.9 20412.5 1634.2 o -9 3 1 1 43681.0 43075.7 2391.0 o -11 3 1 3 6937.2 6852.1 1197.7 o -2 3 1 -4 8202.9 6842.1 1050.6 o -7 3 1 1 9533.6 8749.0 1140.4 o -8 3 1 2 25309.6 26732.1 1886.8 o -2 3 1 -2 9898.3 10384.7 1158.1 o -3 3 1 -1 10670.9 10588.0 1243.7 o -4 3 1 0 13799.2 16118.6 1365.0 o -5 3 1 1 105255.0 106330.9 3614.1 o -6 3 1 2 23436.5 24657.2 1821.8 o 2 3 1 -4 9918.2 9843.2 1159.2 o -1 3 1 -1 57154.5 59737.0 2715.8 o -2 3 1 0 36910.1 39724.8 2201.7 o -3 3 1 1 32177.2 35314.9 2066.5 o -4 3 1 2 5679.1 5197.2 933.0 o 2 3 1 -2 39481.7 38443.5 2273.1 o 1 3 1 -1 81008.5 77443.0 3204.8 o -1 3 1 1 55714.9 57308.1 2681.4 o 5 3 1 -3 5495.3 5837.1 937.0 o 4 3 1 -2 10646.1 11353.4 1370.2 o 3 3 1 -1 32170.0 28947.8 2059.1 o 1 3 1 1 21042.4 24718.6 1685.6 o 6 3 1 -2 17429.3 18213.4 2262.8 o 5 3 1 -1 68685.9 71526.3 2966.8 o 10 3 1 -4 11083.9 10148.4 1221.3 o 9 3 1 -3 19971.3 19747.9 1642.1 o 8 3 1 -2 34217.6 35091.1 2134.7 o 7 3 1 -1 35021.4 28866.8 2148.4 o 6 3 1 0 7365.1 4997.6 995.5 o 9 3 1 -1 10590.5 8790.6 1193.8 o 8 3 1 0 8563.7 11636.6 1073.5 o 13 3 1 -3 13254.9 11297.4 1420.7 o 12 3 1 -2 79817.5 83097.9 3175.5 o 16 3 1 -4 7081.2 4103.0 976.1 o 16 3 1 -2 22314.4 26709.8 1723.8 o 5 4 1 0 10697.8 6189.9 1199.8 o 10 4 1 -1 21042.4 27214.0 1674.0 o -17 0 2 3 16684.9 15745.2 1493.2 o -13 0 2 1 31627.1 33524.5 2070.1 o -14 0 2 2 26442.0 25842.5 1873.3 o -15 0 2 3 14242.0 18196.3 1382.0 o -10 0 2 0 20383.3 20002.0 1653.3 o -11 0 2 1 34432.5 34287.3 2133.9 o -12 0 2 2 21526.8 25138.7 1701.9 o -14 0 2 4 28224.0 26856.9 1932.0 o -4 0 2 -4 15512.7 19501.3 1452.3 o -7 0 2 -1 33845.0 30820.1 2112.0 o -8 0 2 0 93440.3 89622.3 3466.4 o -9 0 2 1 64510.9 62000.8 2875.2 o -10 0 2 2 87604.2 84342.0 3315.0 o -11 0 2 3 61687.7 66660.0 2851.3 o -3 0 2 -3 6882.4 10438.7 990.5 o -4 0 2 -2 6096.5 5445.7 919.8 o -6 0 2 0 69875.6 65185.4 2987.0 o -7 0 2 1 72743.5 78042.2 3047.7 o -8 0 2 2 50908.9 48231.8 2572.2 o -10 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