# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_eme _shelx_title ' eme in C2/c (#15)' _shelx_refln_list_code 4 _shelx_F_calc_maximum 251.47 _exptl_crystal_F_000 944.00 _shelx_F_squared_multiplier 1.000 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 31900.99 32520.06 598.75 o 4 0 0 37773.88 38050.68 506.86 o 6 0 0 4633.85 4411.99 103.59 o 8 0 0 7097.56 7298.26 160.85 o 10 0 0 7624.17 7514.03 196.17 o 1 1 0 665.72 703.44 12.83 o 3 1 0 26685.74 28095.15 594.20 o 5 1 0 180.13 194.85 16.94 o 7 1 0 763.09 768.41 36.65 o 9 1 0 366.24 366.21 33.00 o 0 2 0 36103.00 31368.84 907.45 o 2 2 0 20894.42 20518.33 230.66 o 4 2 0 14194.70 14124.73 141.15 o 6 2 0 12063.00 12338.03 123.52 o 8 2 0 3141.25 3135.72 76.33 o 10 2 0 2690.07 2749.63 85.58 o 1 3 0 9.44 7.74 10.21 o 3 3 0 5343.34 5409.87 59.43 o 5 3 0 70.99 77.31 14.20 o 7 3 0 944.59 943.91 46.68 o 9 3 0 88.80 84.23 22.86 o 0 4 0 4919.87 5091.83 82.73 o 2 4 0 24211.76 23832.37 246.49 o 4 4 0 22555.22 22159.16 238.97 o 6 4 0 10076.27 9910.74 151.09 o 8 4 0 2844.21 2724.33 73.60 o 10 4 0 278.00 270.71 33.44 o 1 5 0 22032.85 21233.90 212.06 o 3 5 0 1162.69 1208.94 32.21 o 5 5 0 31.03 28.48 15.18 o 7 5 0 1675.55 1607.04 53.84 o 9 5 0 502.77 440.23 36.12 o 0 6 0 37829.14 34874.77 404.17 o 2 6 0 49577.61 45887.64 439.67 o 4 6 0 10699.91 10463.86 162.27 o 6 6 0 7334.00 7368.66 120.01 o 8 6 0 3590.79 3614.67 87.25 o 10 6 0 3312.67 3410.95 99.22 o 1 7 0 993.23 1006.40 29.83 o 3 7 0 1127.60 1057.10 34.27 o 5 7 0 403.21 411.93 31.47 o 7 7 0 0.20 11.06 34.09 o 0 8 0 22884.52 20961.79 298.26 o 2 8 0 4682.49 4329.77 67.26 o 4 8 0 797.77 756.71 38.38 o 6 8 0 1377.30 1345.32 49.75 o 8 8 0 3398.42 3336.99 88.86 o 1 9 0 1006.29 1014.89 35.08 o 3 9 0 52.44 55.84 17.46 o 5 9 0 359.61 342.13 31.34 o 7 9 0 1012.91 1063.79 50.15 o 9 9 0 83.96 65.37 24.46 o 0 10 0 580.75 520.02 39.85 o 2 10 0 9125.76 8745.92 130.21 o 4 10 0 2086.94 2066.33 67.70 o 6 10 0 2695.06 2559.93 73.06 o 8 10 0 1504.72 1474.70 63.96 o 1 11 0 1977.33 1973.17 62.47 o 3 11 0 33.56 34.85 17.87 o 5 11 0 1.23 10.77 25.44 o 7 11 0 238.32 241.29 30.11 o 0 12 0 2168.25 2173.57 120.27 o 2 12 0 7131.23 7017.28 124.90 o 4 12 0 12419.56 12374.78 154.27 o 6 12 0 3911.92 3829.41 95.62 o 8 12 0 3067.88 3220.70 97.97 o 1 13 0 239.20 237.88 25.61 o 3 13 0 1050.93 985.48 46.35 o 5 13 0 148.62 138.84 25.02 o 7 13 0 63.78 60.70 23.99 o 0 14 0 7470.47 7354.75 172.94 o 2 14 0 2029.60 2037.40 66.99 o 4 14 0 4188.93 4121.66 98.78 o 6 14 0 1554.16 1499.86 66.78 o 1 15 0 197.21 184.32 27.23 o 3 15 0 288.17 266.57 30.09 o 5 15 0 126.91 118.30 25.98 o 0 16 0 8732.30 8788.96 210.44 o 2 16 0 2208.98 2353.69 78.49 o 4 16 0 1427.17 1452.74 65.73 o 1 17 0 23.74 36.55 22.15 o 3 17 0 462.22 469.48 42.33 o 0 18 0 1403.62 1522.93 98.56 o -11 1 1 545.85 499.67 61.03 o -9 1 1 4006.08 3986.55 133.19 o -7 1 1 12554.11 12719.02 193.46 o -5 1 1 6827.54 6845.71 116.58 o -3 1 1 25894.61 27593.38 173.13 o -1 1 1 21417.95 22570.04 665.64 o 1 1 1 32020.44 30930.63 1187.21 o 3 1 1 41175.55 42075.77 1744.29 o 5 1 1 4378.09 4235.13 94.53 o 7 1 1 7414.06 7377.97 150.37 o 9 1 1 2580.59 2649.23 108.52 o -10 2 1 15.76 15.08 41.14 o -8 2 1 569.37 556.11 50.16 o -6 2 1 2732.92 2879.89 85.68 o -4 2 1 4196.82 4005.86 79.47 o -2 2 1 2479.65 2729.77 47.72 o 0 2 1 69.52 74.60 10.30 o 2 2 1 1359.19 1321.20 35.21 o 4 2 1 3200.29 3294.08 72.04 o 6 2 1 2886.68 2723.63 84.30 o 8 2 1 1180.82 1134.75 67.82 o 10 2 1 54.20 65.34 33.62 o -9 3 1 7405.08 7520.30 183.06 o -7 3 1 3113.81 3222.62 143.43 o -5 3 1 27887.33 28105.04 244.49 o -3 3 1 46130.32 46260.34 242.88 o -1 3 1 21469.42 20126.90 240.75 o 1 3 1 30535.27 28399.30 1007.89 o 3 3 1 1878.39 1592.24 68.64 o 5 3 1 14949.21 14644.32 254.89 o 7 3 1 4403.48 4352.48 117.89 o 9 3 1 6397.50 6324.83 169.39 o -8 4 1 949.66 902.01 62.17 o -6 4 1 466.73 492.18 58.39 o -4 4 1 492.16 474.06 32.66 o -2 4 1 12862.93 12819.27 248.24 o 0 4 1 5841.99 5704.00 72.03 o 2 4 1 19131.56 18336.59 342.09 o 4 4 1 6378.04 6231.09 105.21 o 6 4 1 1106.78 1129.43 57.45 o 8 4 1 0.79 7.36 38.32 o 10 4 1 71.24 87.09 34.02 o -9 5 1 2217.65 2271.98 105.04 o -7 5 1 1306.33 1236.49 67.45 o -5 5 1 12904.41 13681.11 252.42 o -3 5 1 25548.18 25393.37 203.51 o -1 5 1 38283.02 35275.54 546.80 o 1 5 1 14014.53 13304.58 125.84 o 3 5 1 1738.69 1548.17 50.85 o 5 5 1 1788.36 1774.34 65.62 o 7 5 1 2354.23 2384.81 91.84 o 9 5 1 2951.75 2905.94 118.82 o -10 6 1 402.22 471.78 58.94 o -8 6 1 4.45 15.16 40.23 o -6 6 1 2447.72 2455.79 125.19 o -4 6 1 4973.83 5202.99 151.37 o -2 6 1 1098.52 1135.50 43.51 o 0 6 1 1206.53 1283.18 42.85 o 2 6 1 526.18 490.51 29.86 o 4 6 1 923.41 925.65 46.23 o 6 6 1 330.08 305.64 34.85 o 8 6 1 546.51 572.07 52.68 o 10 6 1 16.65 10.38 93.05 o -9 7 1 1530.07 1583.23 92.95 o -7 7 1 14699.17 14556.48 232.23 o -5 7 1 2484.49 2432.14 116.64 o -3 7 1 2736.80 2580.38 73.38 o -1 7 1 5387.66 5051.42 95.66 o 1 7 1 4746.81 4480.09 86.60 o 3 7 1 18690.02 18128.85 637.18 o 5 7 1 2588.13 2596.31 86.17 o 7 7 1 4081.13 3952.24 124.27 o 9 7 1 401.34 438.64 53.62 o -8 8 1 358.69 397.45 48.76 o -6 8 1 258.80 294.09 37.12 o -4 8 1 1203.82 1133.13 81.39 o -2 8 1 109.64 137.88 22.64 o 0 8 1 25.32 56.14 23.74 o 2 8 1 276.41 261.01 27.30 o 4 8 1 705.41 638.62 44.62 o 6 8 1 973.64 925.54 60.66 o 8 8 1 48.61 55.64 28.00 o -9 9 1 3176.15 3127.30 133.89 o -7 9 1 10294.78 10157.47 207.18 o -5 9 1 9887.75 9555.91 252.72 o -3 9 1 5189.32 5054.90 160.66 o -1 9 1 10994.98 10059.70 256.80 o 1 9 1 3822.52 3641.68 91.79 o 3 9 1 7351.09 6986.27 133.64 o 5 9 1 4737.11 4641.23 124.36 o 7 9 1 2765.10 2767.07 111.95 o 9 9 1 818.38 834.90 72.90 o -8 10 1 30.24 28.81 33.84 o -6 10 1 418.14 378.97 45.72 o -4 10 1 377.79 355.47 55.70 o -2 10 1 327.14 358.51 51.87 o 0 10 1 4896.83 4888.05 116.59 o 2 10 1 1693.34 1627.81 67.44 o 4 10 1 874.73 880.22 56.35 o 6 10 1 70.51 66.02 28.99 o -7 11 1 549.12 564.11 57.71 o -5 11 1 7042.73 6861.46 163.88 o -3 11 1 8199.41 8257.83 229.93 o -1 11 1 10569.54 10125.31 243.98 o 1 11 1 6565.46 6400.16 136.98 o 3 11 1 50.58 55.47 23.72 o 5 11 1 4444.51 4317.86 131.14 o 7 11 1 646.52 609.80 60.45 o -8 12 1 98.85 95.56 38.63 o -6 12 1 67.23 66.60 31.34 o -4 12 1 66.80 65.29 28.97 o -2 12 1 96.25 83.86 26.60 o 0 12 1 213.87 228.62 45.48 o 2 12 1 40.44 25.69 26.40 o 6 12 1 125.54 95.22 32.33 o 8 12 1 0.83 11.09 76.96 o -7 13 1 941.26 940.68 77.97 o -5 13 1 2882.22 2871.69 117.08 o -3 13 1 2083.95 2104.51 93.23 o -1 13 1 3947.64 4074.69 123.76 o 1 13 1 4386.74 4393.10 127.24 o 3 13 1 3908.62 3814.37 124.42 o 5 13 1 3272.17 3183.91 123.30 o 7 13 1 1714.11 1720.78 100.83 o -6 14 1 153.39 172.65 41.11 o -4 14 1 7.59 15.90 30.05 o -2 14 1 604.03 596.01 55.13 o 0 14 1 29.62 27.44 25.95 o 2 14 1 124.84 130.41 32.26 o 4 14 1 166.87 197.63 40.84 o 6 14 1 20.23 17.81 35.46 o -5 15 1 2061.33 2139.13 110.71 o -3 15 1 3753.79 3915.19 139.09 o -1 15 1 3211.97 3296.25 124.31 o 1 15 1 4576.62 4672.10 145.52 o 3 15 1 4754.67 4705.26 151.25 o 5 15 1 2109.76 2159.94 112.11 o -4 16 1 32.19 42.41 31.78 o -2 16 1 88.35 101.04 35.46 o 0 16 1 207.68 234.49 43.91 o 2 16 1 200.46 211.16 41.66 o 4 16 1 120.18 133.10 38.96 o -3 17 1 2259.24 2383.95 119.62 o -1 17 1 2173.52 2335.14 115.65 o 1 17 1 1991.35 2030.00 107.84 o 3 17 1 2133.89 2236.23 116.75 o 0 18 1 63.84 76.38 34.16 o -10 0 2 1898.33 1946.03 144.59 o -8 0 2 2589.14 2687.18 142.09 o -6 0 2 2196.19 2129.25 104.17 o -4 0 2 16244.00 17332.50 228.06 o -2 0 2 695.95 683.58 37.94 o 0 0 2 24468.67 25867.60 152.06 o 2 0 2 23289.60 24099.02 203.76 o 4 0 2 618.26 543.66 45.10 o 6 0 2 9581.54 9311.60 218.36 o 8 0 2 1886.19 1913.24 124.57 o 10 0 2 3867.71 3972.43 206.67 o -11 1 2 49.52 46.37 33.92 o -9 1 2 533.40 518.19 52.73 o -7 1 2 599.78 587.10 46.47 o -5 1 2 5795.45 6228.28 111.15 o -3 1 2 1670.62 1603.32 44.15 o -1 1 2 0.10 3.23 31.37 o 1 1 2 650.67 632.04 21.98 o 3 1 2 2376.33 2255.44 54.18 o 5 1 2 3167.17 3185.16 81.54 o 7 1 2 329.07 309.05 37.38 o -10 2 2 2471.50 2461.76 114.05 o -8 2 2 5480.31 5566.88 143.27 o -6 2 2 6515.68 6720.96 136.79 o -4 2 2 7280.46 7085.16 170.10 o -2 2 2 4881.58 4970.67 85.51 o 0 2 2 32965.18 32653.19 371.53 o 2 2 2 4247.88 3911.23 109.49 o 4 2 2 28491.47 27398.34 526.63 o 6 2 2 7000.29 6892.47 135.89 o 8 2 2 7309.02 7207.78 167.98 o 10 2 2 3278.22 3296.83 133.09 o -9 3 2 44.71 67.75 31.08 o -7 3 2 51.54 57.35 33.35 o -5 3 2 610.50 637.47 39.77 o -3 3 2 6797.25 6867.71 94.77 o -1 3 2 1315.84 1317.29 34.49 o 1 3 2 8605.86 8376.01 289.47 o 3 3 2 657.86 658.01 31.65 o 5 3 2 5398.27 5296.58 135.11 o 7 3 2 97.35 76.20 26.00 o -10 4 2 3113.62 3067.48 130.50 o -8 4 2 4390.55 4388.25 130.97 o -6 4 2 20110.50 20322.71 331.33 o -4 4 2 1258.38 1197.71 48.65 o -2 4 2 34421.79 33951.72 540.04 o 0 4 2 285.92 206.48 17.72 o 2 4 2 51011.02 46942.13 2015.70 o 4 4 2 14319.65 13541.57 226.30 o 6 4 2 3091.13 3038.03 94.29 o 8 4 2 5332.09 5201.51 145.35 o 10 4 2 2994.58 3064.32 131.47 o -9 5 2 125.67 160.67 36.81 o -7 5 2 351.95 362.35 40.43 o -3 5 2 804.72 740.31 36.68 o -1 5 2 643.54 630.27 30.02 o 1 5 2 2578.05 2477.55 84.32 o 3 5 2 2580.05 2518.62 66.76 o 5 5 2 329.39 317.51 32.42 o 7 5 2 55.53 72.19 26.05 o 9 5 2 36.17 43.94 28.50 o -10 6 2 2526.98 2682.31 123.97 o -8 6 2 5549.15 5562.58 153.16 o -6 6 2 4932.82 5121.44 177.07 o -4 6 2 11021.32 10654.09 217.09 o -2 6 2 2335.28 2107.27 59.34 o 0 6 2 2046.51 1835.35 52.11 o 2 6 2 2900.82 2631.21 66.31 o 4 6 2 1661.10 1621.55 62.72 o 6 6 2 2795.88 2765.56 93.91 o 8 6 2 1455.48 1463.79 81.35 o 10 6 2 1221.10 1175.70 87.22 o -9 7 2 172.15 127.75 40.25 o -7 7 2 867.37 798.91 59.57 o -5 7 2 514.52 544.77 62.69 o -3 7 2 200.97 195.93 25.24 o -1 7 2 1212.32 1185.93 46.42 o 1 7 2 5874.07 5773.19 101.24 o 3 7 2 254.32 244.21 27.87 o 5 7 2 0.22 11.09 32.89 o 7 7 2 51.72 53.73 26.55 o 9 7 2 193.58 209.10 41.39 o -8 8 2 4540.62 4493.56 145.25 o -6 8 2 3538.48 3519.65 110.50 o -4 8 2 11769.38 11481.68 248.41 o -2 8 2 10793.81 10158.14 149.49 o 0 8 2 10940.74 10241.46 142.83 o 2 8 2 8931.38 8392.23 134.35 o 4 8 2 2037.32 2094.09 77.37 o 6 8 2 14441.31 14562.24 227.69 o 8 8 2 2211.51 2211.68 104.52 o -9 9 2 28.61 15.75 51.57 o -7 9 2 179.60 227.72 41.71 o -5 9 2 549.48 568.85 66.62 o -1 9 2 1259.00 1255.09 55.82 o 1 9 2 423.29 413.39 34.75 o 3 9 2 659.95 657.15 45.27 o 5 9 2 183.71 166.17 32.31 o 7 9 2 97.42 89.99 29.34 o 9 9 2 262.32 282.34 50.02 o -8 10 2 3244.16 3224.67 129.47 o -6 10 2 5078.79 5043.19 143.10 o -4 10 2 10346.37 10376.08 263.38 o -2 10 2 15301.02 15367.66 287.68 o 0 10 2 8301.83 8061.30 193.41 o 2 10 2 7230.61 7087.51 206.18 o 4 10 2 2617.98 2554.14 93.12 o 6 10 2 3178.14 3015.05 112.68 o 8 10 2 4449.03 4337.27 152.71 o -7 11 2 22.46 18.23 37.85 o -5 11 2 48.46 53.68 28.33 o -3 11 2 8.17 6.79 94.53 o -1 11 2 1397.49 1271.00 91.95 o 1 11 2 6427.28 6229.10 178.36 o 3 11 2 179.30 192.11 31.70 o 5 11 2 20.63 27.01 23.86 o 7 11 2 13.38 15.85 31.99 o -8 12 2 2528.45 2515.02 124.81 o -6 12 2 3360.91 3184.07 124.37 o -4 12 2 1999.42 2075.89 92.60 o -2 12 2 1040.60 980.23 60.65 o 0 12 2 1278.06 1323.08 95.76 o 2 12 2 6496.70 6399.99 150.63 o 4 12 2 4463.32 4344.09 132.80 o 6 12 2 482.12 456.82 53.50 o 8 12 2 1438.10 1476.34 97.04 o -7 13 2 97.97 94.76 38.06 o -5 13 2 0.21 9.21 64.82 o -3 13 2 24.54 25.79 35.35 o -1 13 2 174.26 148.06 31.63 o 1 13 2 29.02 29.72 34.84 o 3 13 2 11.55 15.80 43.17 o 5 13 2 557.55 584.24 58.29 o 7 13 2 0.60 10.73 77.63 o -6 14 2 1354.99 1358.19 88.89 o -4 14 2 4134.03 4301.82 142.11 o -2 14 2 502.32 558.04 52.92 o 0 14 2 5330.04 5494.25 157.40 o 2 14 2 2619.35 2620.54 106.99 o 4 14 2 5688.68 5626.30 163.99 o 6 14 2 2075.12 2118.88 111.03 o -5 15 2 456.61 452.96 57.29 o -3 15 2 22.37 23.53 28.33 o -1 15 2 65.30 40.25 31.96 o 1 15 2 800.59 740.46 64.06 o 3 15 2 96.80 90.21 34.57 o 5 15 2 521.04 559.87 61.56 o -4 16 2 2933.00 3085.31 132.96 o -2 16 2 4650.64 4971.96 160.84 o 0 16 2 4181.24 4349.34 147.91 o 2 16 2 658.41 725.16 65.96 o 4 16 2 1068.15 1107.53 83.41 o -3 17 2 31.92 48.95 33.15 o -1 17 2 368.20 410.18 54.99 o 1 17 2 212.36 271.11 48.40 o 3 17 2 47.95 44.00 33.38 o 0 18 2 1143.05 1182.08 88.71 o -11 1 3 2105.30 2192.85 117.43 o -9 1 3 6216.34 6192.70 164.62 o -7 1 3 6593.52 6756.69 143.88 o -5 1 3 6775.78 7129.14 120.53 o -3 1 3 4749.05 5131.15 115.73 o -1 1 3 13795.52 14897.62 107.92 o 1 1 3 16037.63 15573.38 315.82 o 3 1 3 21051.33 20266.65 286.03 o 5 1 3 12108.94 11831.31 161.82 o 7 1 3 5961.81 5846.50 139.62 o 9 1 3 3357.51 3320.76 124.80 o -8 2 3 113.26 84.42 30.50 o -6 2 3 2200.62 2277.99 78.00 o -4 2 3 73.51 68.44 18.35 o -2 2 3 1617.18 1601.86 57.02 o 0 2 3 1199.99 1332.75 34.70 o 2 2 3 8080.14 8148.36 233.88 o 4 2 3 457.15 466.44 31.98 o 6 2 3 886.87 907.62 53.21 o 8 2 3 124.45 122.40 31.06 o 10 2 3 598.38 638.25 65.72 o -9 3 3 2020.13 2069.05 98.51 o -7 3 3 104.22 93.47 38.95 o -5 3 3 1953.39 2031.09 67.64 o -3 3 3 2601.50 2668.64 62.86 o -1 3 3 10.38 58.60 26.73 o 1 3 3 37811.64 38502.75 1753.44 o 3 3 3 1264.84 1149.12 42.51 o 5 3 3 8127.82 7891.58 135.33 o 7 3 3 3048.39 2981.27 101.69 o 9 3 3 2409.47 2325.32 107.18 o -10 4 3 541.39 547.48 61.30 o -8 4 3 2.38 7.21 89.43 o -6 4 3 1533.11 1555.63 97.49 o -4 4 3 504.29 596.84 36.65 o -2 4 3 1635.18 1879.20 50.22 o 0 4 3 2112.62 2135.16 50.06 o 4 4 3 3169.17 3051.67 79.82 o 6 4 3 113.66 118.95 24.84 o 8 4 3 12.60 7.50 69.81 o 10 4 3 51.59 39.99 32.91 o -9 5 3 2378.07 2455.67 110.13 o -7 5 3 6361.47 6295.65 147.91 o -5 5 3 18433.73 19201.30 307.04 o -3 5 3 26035.69 25891.20 598.64 o -1 5 3 7643.65 7100.26 213.45 o 1 5 3 15163.10 14122.91 411.70 o 3 5 3 9134.34 8596.19 229.92 o 5 5 3 11295.59 10993.65 370.16 o 7 5 3 9715.01 9381.37 184.39 o 9 5 3 3816.24 3732.45 137.00 o -10 6 3 194.70 207.72 46.78 o -8 6 3 367.16 359.64 45.94 o -6 6 3 315.13 294.52 52.54 o -4 6 3 104.67 121.27 24.04 o -2 6 3 2545.56 2613.67 68.02 o 0 6 3 6375.66 6374.90 100.37 o 2 6 3 237.69 234.37 23.84 o 4 6 3 45.05 39.46 25.69 o 6 6 3 636.38 629.79 50.01 o 8 6 3 176.49 199.67 38.28 o 10 6 3 4.77 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