# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_I _shelx_title ' G088 IN P -1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 395.51 _exptl_crystal_F_000 1156.00 _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 1 0 0 65267.91 174720.031061961.38 x 2 0 0 10774.59 10674.15 242.59 o 3 0 0 43821.68 46850.04 671.96 o 4 0 0 15360.82 23875.99 468.75 o 5 0 0 369.72 649.20 68.61 o 6 0 0 6909.30 7110.14 287.28 o 7 0 0 393.43 392.92 87.02 o 8 0 0 1254.09 1396.04 119.21 o 9 0 0 2871.61 2564.48 146.77 o 10 0 0 67.21 278.91 107.88 o 11 0 0 119.13 192.12 115.80 o -12 1 0 652.83 630.34 139.78 o -11 1 0 1024.90 996.12 137.40 o -10 1 0 2965.87 3491.76 176.06 o -9 1 0 391.58 355.84 105.43 o -8 1 0 3160.95 3407.90 190.22 o -7 1 0 2545.91 2153.56 120.39 o -6 1 0 1606.45 3401.28 154.48 o -5 1 0 18873.07 20383.62 447.59 o -4 1 0 113221.56 162619.03 1514.74 x -3 1 0 16368.33 14346.78 361.03 o -2 1 0 1967.83 426.88 33.05 x -1 1 0 52512.05 46140.79 1938.77 o 0 1 0 83381.07 56855.02 2093.96 x 1 1 0 2311.08 84.04 15.78 x 2 1 0 984.11 3198.92 136.41 x 3 1 0 814.72 762.61 61.12 o 4 1 0 139.90 518.91 60.58 o 5 1 0 7624.63 8762.09 292.81 o 6 1 0 48.88 168.40 76.31 o 7 1 0 1486.47 1541.96 114.12 o 8 1 0 3070.78 3502.39 155.07 o 9 1 0 86.60 257.89 107.89 o 10 1 0 7425.87 7382.32 233.58 o 11 1 0 686.98 472.18 129.25 o -12 2 0 5.26 115.74 121.00 o -11 2 0 1303.78 1489.59 140.23 o -10 2 0 2994.02 3293.43 160.13 o -9 2 0 1659.37 1611.03 124.74 o -8 2 0 7956.85 7731.88 305.86 o -7 2 0 43.83 368.37 86.83 o -6 2 0 1542.18 3587.56 165.13 o -5 2 0 6513.53 5710.75 271.01 o -4 2 0 8647.76 8924.20 333.10 o -3 2 0 5729.99 7258.47 291.94 o -2 2 0 13709.76 13823.23 384.99 o -1 2 0 1509.91 643.34 49.20 o 0 2 0 8163.32 6289.75 132.58 o 1 2 0 27973.31 25391.72 360.85 o 2 2 0 181.62 553.74 55.37 o 3 2 0 8579.97 6683.98 257.41 o 4 2 0 2020.97 1908.23 107.05 o 5 2 0 5456.50 5755.73 254.29 o 6 2 0 39888.98 44062.34 662.91 o 7 2 0 6436.46 6847.35 267.03 o 8 2 0 36.99 1023.42 121.02 x 9 2 0 4817.71 5167.61 207.03 o 10 2 0 10568.86 10438.01 277.43 o 11 2 0 255.44 323.87 123.75 o -12 3 0 7.07 76.28 126.26 o -11 3 0 803.14 699.63 121.44 o -10 3 0 4565.13 4788.39 223.28 o -9 3 0 64.36 52.63 105.25 o -8 3 0 1396.35 1066.60 116.74 o -7 3 0 2628.23 3081.03 150.03 o -6 3 0 17065.98 16521.36 449.74 o -5 3 0 4441.52 3757.27 211.17 o -4 3 0 382.63 380.49 84.55 o -3 3 0 35790.34 29071.35 727.63 o -2 3 0 2176.48 1946.04 106.30 o -1 3 0 233.23 283.23 41.99 o 0 3 0 50709.79 32402.90 682.31 x 1 3 0 62331.16 48970.88 517.52 o 2 3 0 33308.35 38992.91 614.61 o 3 3 0 523.30 869.49 71.36 o 4 3 0 37.01 531.49 71.04 x 5 3 0 27911.51 31630.25 573.41 o 6 3 0 39354.07 43378.16 649.62 o 7 3 0 77.66 55.26 97.37 o 8 3 0 78.62 186.83 113.15 o 9 3 0 2619.33 2807.08 164.97 o 10 3 0 487.88 574.58 129.15 o -13 4 0 451.28 310.95 142.30 o -12 4 0 78.35 65.78 123.67 o -11 4 0 37.11 215.73 121.02 o -10 4 0 2628.86 2470.80 154.59 o -9 4 0 2562.43 2601.32 146.74 o -8 4 0 301.34 305.70 108.05 o -7 4 0 3738.98 3225.68 191.65 o -6 4 0 891.56 935.24 98.03 o -5 4 0 12302.78 12581.98 440.71 o -4 4 0 9047.16 8171.88 388.45 o -3 4 0 21306.71 19900.95 604.24 o -2 4 0 15441.25 18487.29 530.80 o -1 4 0 570.84 254.90 49.63 o 0 4 0 21.75 18.42 40.93 o 1 4 0 14226.47 14060.00 260.57 o 2 4 0 16059.52 16338.44 403.31 o 3 4 0 103.45 65.81 65.81 o 4 4 0 463.30 715.10 89.72 o 5 4 0 10338.08 9751.68 320.96 o 6 4 0 782.75 853.25 110.95 o 7 4 0 5217.34 5004.20 221.21 o 8 4 0 35.92 -36.83 97.34 o 9 4 0 54.31 55.25 105.24 o -13 5 0 165.32 192.15 131.61 o -12 5 0 2000.45 1119.62 153.88 o -11 5 0 1424.03 1125.36 150.93 o -10 5 0 1468.38 975.22 145.75 o -9 5 0 3593.20 3289.23 179.75 o -8 5 0 155.90 107.95 118.48 o -7 5 0 136.68 252.76 110.58 o -6 5 0 185.26 352.98 102.73 o -5 5 0 5926.01 6253.25 323.30 o -4 5 0 1427.30 2021.22 122.66 o -3 5 0 1448.75 2699.21 133.49 o -2 5 0 2896.64 3122.68 130.11 o -1 5 0 3913.62 3393.09 117.79 o 0 5 0 1173.68 1120.94 51.70 o 1 5 0 2417.75 1500.49 112.76 o 2 5 0 1517.87 1077.71 85.15 o 3 5 0 8783.14 9361.89 309.09 o 4 5 0 705.32 921.99 105.67 o 5 5 0 846.96 829.83 113.64 o 6 5 0 2288.28 2567.60 151.66 o 7 5 0 170.77 455.42 105.30 o 8 5 0 1439.31 1318.04 140.27 o 9 5 0 139.48 365.83 118.43 o -13 6 0 8.08 26.30 139.42 o -12 6 0 1355.85 1084.80 164.04 o -11 6 0 3.40 65.76 128.89 o -10 6 0 1265.18 886.82 148.25 o -9 6 0 4228.21 3361.34 204.53 o -8 6 0 4449.97 4126.31 226.84 o -7 6 0 1.69 -47.35 118.37 o -6 6 0 695.03 534.04 121.61 o -5 6 0 5844.01 7076.89 360.31 o -4 6 0 12792.30 14999.00 537.23 o -3 6 0 268.66 804.19 105.47 o -2 6 0 9341.55 8545.62 366.48 o -1 6 0 5367.76 4423.53 151.63 o 0 6 0 4175.69 3702.88 133.15 o 1 6 0 10859.13 9359.86 225.41 o 2 6 0 2505.90 2324.05 109.65 o 3 6 0 222.84 231.79 94.82 o 4 6 0 393.80 181.90 97.54 o 5 6 0 1310.44 1411.37 129.75 o 6 6 0 426.13 474.42 115.97 o 7 6 0 6250.06 6580.50 226.91 o 8 6 0 5273.53 5601.29 231.04 o -13 7 0 425.67 592.86 171.27 o -12 7 0 335.05 287.13 147.52 o -11 7 0 1335.33 1214.81 161.45 o -10 7 0 20.25 281.48 142.06 o -9 7 0 746.94 897.94 158.46 o -8 7 0 9003.65 8724.88 395.45 o -7 7 0 739.32 980.44 153.28 o -6 7 0 158.97 310.72 136.93 o -5 7 0 43.81 63.15 128.93 o -4 7 0 6577.98 8040.26 386.15 o -3 7 0 7197.89 6493.08 321.60 o -2 7 0 958.20 1104.87 108.63 o -1 7 0 64.51 114.48 57.69 o 0 7 0 725.97 811.33 64.47 o 1 7 0 5338.45 5400.17 176.89 o 2 7 0 1098.58 812.82 108.55 o 3 7 0 1621.02 1284.46 130.04 o 4 7 0 1551.82 1193.02 132.56 o 5 7 0 174.01 308.01 110.57 o 6 7 0 162.89 234.27 115.82 o 7 7 0 3367.50 3482.71 200.00 o -12 8 0 1631.87 1356.14 177.46 o -11 8 0 4.81 176.24 147.31 o -10 8 0 9641.81 9668.08 352.17 o -9 8 0 2121.79 2502.48 202.11 o -8 8 0 1879.47 2089.09 186.05 o -7 8 0 632.68 356.44 158.42 o -6 8 0 11752.07 11473.20 487.56 o -5 8 0 934.88 656.34 142.91 o -4 8 0 7411.27 8022.39 386.22 o -3 8 0 1488.23 1354.97 132.84 o -2 8 0 0.61 15.78 99.96 o -1 8 0 2.10 158.32 69.73 o 0 8 0 1291.50 1228.55 81.53 o 1 8 0 5299.26 4682.07 165.51 o 2 8 0 293.96 281.90 105.38 o 3 8 0 35.59 284.14 123.65 o 4 8 0 182.35 442.29 113.20 o 5 8 0 621.50 466.86 121.33 o 6 8 0 191.97 94.77 118.46 o -12 9 0 69.56 631.48 173.66 o -11 9 0 4512.41 5159.08 249.50 o -10 9 0 16911.84 18341.10 453.29 o -9 9 0 2700.73 2841.74 213.26 o -8 9 0 987.86 899.01 179.80 o -7 9 0 151.22 331.71 163.22 o -6 9 0 1014.40 740.84 164.04 o -5 9 0 340.38 437.54 155.51 o -4 9 0 4617.01 4989.80 240.57 o -3 9 0 5787.71 5909.73 244.88 o -2 9 0 1900.67 1601.25 140.97 o -1 9 0 1350.90 1591.57 212.06 o 0 9 0 121.60 286.03 106.60 o 1 9 0 1406.95 939.99 88.06 o 2 9 0 2626.73 2744.06 159.85 o 3 9 0 227.37 113.23 118.49 o 4 9 0 321.90 495.21 123.80 o 5 9 0 384.02 218.67 123.83 o -12 10 0 846.23 1063.75 182.13 o -11 10 0 1707.98 2035.07 206.69 o -10 10 0 1278.27 1650.93 193.14 o -9 10 0 686.19 504.06 174.18 o -8 10 0 1455.57 1873.23 204.01 o -7 10 0 1034.04 1547.06 195.70 o -6 10 0 2773.78 2789.43 213.54 o -5 10 0 2009.14 2334.75 191.46 o -4 10 0 937.75 978.26 163.92 o -3 10 0 21.47 47.35 128.91 o -2 10 0 1350.02 924.62 137.77 o -1 10 0 46.04 397.53 92.97 o 0 10 0 1869.81 2372.54 116.34 o 1 10 0 174.18 322.48 82.82 o 2 10 0 1267.23 949.72 140.21 o 3 10 0 357.09 297.69 129.09 o 4 10 0 9.91 21.04 118.37 o -11 11 0 92.12 910.47 197.36 o -10 11 0 1801.06 1558.87 190.88 o -9 11 0 201.16 368.60 160.60 o -8 11 0 2142.84 1870.52 207.24 o -7 11 0 480.52 558.95 179.29 o -6 11 0 149.19 244.81 173.74 o -5 11 0 3786.54 3173.23 233.17 o -4 11 0 14207.96 15515.56 444.35 o -3 11 0 1014.61 1023.10 169.20 o -2 11 0 38.93 105.24 131.55 o -1 11 0 1985.52 2362.39 163.29 o 0 11 0 2244.62 2280.90 118.33 o 1 11 0 108.59 269.04 84.29 o 2 11 0 1216.75 1239.96 153.34 o 3 11 0 61.92 76.30 123.66 o -10 12 0 186.15 181.64 168.48 o -9 12 0 6423.08 6111.46 294.63 o -8 12 0 18166.27 17812.32 433.96 o -7 12 0 1371.29 1524.59 198.51 o -6 12 0 139.74 313.22 168.46 o -5 12 0 8663.01 9420.85 325.42 o -4 12 0 8496.94 9344.54 316.95 o -3 12 0 65.13 123.67 134.19 o -2 12 0 955.72 760.81 158.50 o -1 12 0 197.03 585.23 103.20 o 0 12 0 134.94 207.92 110.54 o 1 12 0 1180.44 959.50 111.10 o -9 13 0 8182.36 6586.30 307.16 o -8 13 0 6378.62 4782.76 307.87 o -7 13 0 137.74 415.85 176.34 o -6 13 0 174.61 279.03 168.47 o -5 13 0 596.03 1218.40 192.52 o -4 13 0 210.37 186.93 152.70 o -3 13 0 1084.70 916.97 169.12 o -2 13 0 74.50 57.89 139.46 o -1 13 0 69.27 356.52 107.91 o 0 13 0 904.09 981.89 125.39 o 0 -13 1 524.59 614.33 107.16 o 1 -13 1 611.28 630.89 213.60 o 2 -13 1 547.14 166.10 147.65 o 3 -13 1 289.30 223.87 144.85 o 4 -13 1 184.75 179.01 155.32 o 5 -13 1 323.40 534.73 168.59 o 6 -13 1 1076.42 938.20 192.93 o 7 -13 1 31.47 63.14 176.26 o 8 -13 1 6036.73 6042.14 291.32 o 9 -13 1 2341.58 2076.98 233.73 o -2 -12 1 83.13 378.91 134.20 o -1 -12 1 82.42 474.19 98.56 o 0 -12 1 61.57 119.72 89.30 o 1 -12 1 708.25 777.13 97.94 o 2 -12 1 1317.31 1270.20 164.07 o 3 -12 1 1.86 39.46 144.67 o 4 -12 1 1488.71 1356.21 177.47 o 5 -12 1 87.70 297.36 160.52 o 6 -12 1 838.37 932.18 174.29 o 7 -12 1 1099.32 1398.53 192.99 o 8 -12 1 6919.36 6262.97 300.95 o 9 -12 1 490.55 790.82 189.80 o 10 -12 1 1205.69 1107.74 193.00 o -3 -11 1 320.29 129.06 131.69 o -2 -11 1 28.32 -34.20 115.75 o -1 -11 1 69.72 97.36 86.50 o 0 -11 1 269.17 486.42 88.33 o 1 -11 1 1462.35 1823.02 109.56 o 2 -11 1 1022.95 742.90 153.34 o 3 -11 1 297.84 374.08 147.53 o 4 -11 1 535.69 469.50 166.17 o 5 -11 1 239.25 165.92 168.55 o 6 -11 1 2497.97 2045.42 202.41 o 7 -11 1 173.18 50.02 168.49 o 8 -11 1 0.70 168.35 157.83 o 9 -11 1 249.97 205.41 171.17 o 10 -11 1 1813.64 1333.60 201.50 o 11 -11 1 1283.01 1613.18 195.70 o -4 -10 1 1194.09 1081.18 137.46 o -3 -10 1 1125.24 692.57 140.10 o -2 -10 1 454.17 524.55 126.52 o -1 -10 1 1857.72 1782.67 102.27 o 0 -10 1 1101.95 1380.11 101.00 o 1 -10 1 209.79 331.80 86.57 o 2 -10 1 2767.77 2280.11 162.86 o 3 -10 1 3308.08 2659.68 179.45 o 4 -10 1 23.25 173.63 144.69 o 5 -10 1 287.25 295.08 155.44 o 6 -10 1 3108.29 3027.43 208.60 o 7 -10 1 2406.10 2652.77 202.42 o 8 -10 1 961.90 1186.76 195.59 o 9 -10 1 37.61 81.56 168.38 o 10 -10 1 25.28 84.18 163.10 o 11 -10 1 218.14 97.42 160.61 o 12 -10 1 1128.23 1453.42 203.48 o -6 -9 1 7.97 -86.81 121.00 o -5 -9 1 1564.45 1151.74 142.97 o -4 -9 1 1293.61 661.39 126.99 o -3 -9 1 304.18 194.93 110.64 o -2 -9 1 786.62 929.57 129.40 o -1 -9 1 3124.58 2661.01 247.34 o 0 -9 1 1686.15 1989.54 169.94 o 1 -9 1 3578.93 2701.54 132.92 o 2 -9 1 156.91 318.58 121.11 o 3 -9 1 5147.33 4503.10 246.86 o 4 -9 1 56.65 173.67 139.46 o 5 -9 1 3623.89 2972.41 201.56 o 6 -9 1 857.05 1081.23 171.83 o 7 -9 1 3927.14 4179.27 228.45 o 8 -9 1 963.93 1068.11 174.49 o 9 -9 1 244.30 329.20 173.82 o 10 -9 1 302.29 381.95 163.32 o 11 -9 1 533.80 419.23 155.56 o 12 -9 1 904.66 871.32 171.62 o -7 -8 1 727.69 804.59 145.09 o -6 -8 1 14.83 202.55 123.64 o -5 -8 1 112.43 236.86 102.64 o -4 -8 1 4837.17 4617.79 217.97 o -3 -8 1 10681.18 9787.06 310.44 o -2 -8 1 964.02 743.08 119.00 o -1 -8 1 4.90 99.33 69.58 o 0 -8 1 15420.87 12179.47 268.10 o 1 -8 1 8784.96 6706.82 234.84 o 2 -8 1 3759.65 3778.81 178.02 o 3 -8 1 2522.18 2100.63 144.50 o 4 -8 1 37.27 92.09 126.29 o 5 -8 1 102.99 113.18 134.24 o 6 -8 1 2769.69 2927.68 192.68 o 7 -8 1 5092.68 5418.12 260.07 o 8 -8 1 5428.79 5301.15 265.46 o 9 -8 1 1743.63 1573.90 172.52 o 10 -8 1 89.56 10.53 142.10 o 11 -8 1 909.21 821.42 150.55 o 12 -8 1 3119.16 2563.75 202.54 o -7 -7 1 8617.38 8698.15 256.07 o -6 -7 1 750.38 1092.67 131.96 o -5 -7 1 1530.78 1330.23 132.49 o -4 -7 1 31166.83 33484.61 545.35 o -3 -7 1 11229.22 10812.67 340.78 o -2 -7 1 1712.88 1616.11 114.30 o -1 -7 1 17.54 286.59 60.44 o 0 -7 1 4945.91 3555.75 122.79 o 1 -7 1 1232.51 978.14 165.93 o 2 -7 1 8609.89 10197.81 381.12 o 3 -7 1 3424.72 4404.35 229.53 o 4 -7 1 7530.75 8345.95 416.74 o 5 -7 1 5413.80 6664.20 401.66 o 6 -7 1 521.14 567.54 139.91 o 7 -7 1 144.16 102.68 136.91 o 8 -7 1 5495.33 5993.21 298.44 o 9 -7 1 3063.33 2558.25 181.78 o 10 -7 1 333.07 577.01 152.82 o 11 -7 1 0.88 21.04 136.78 o 12 -7 1 1262.99 885.94 161.32 o 13 -7 1 1868.74 1571.50 188.16 o -8 -6 1 10156.18 10645.26 298.59 o -7 -6 1 4811.65 5246.49 196.11 o -6 -6 1 478.89 880.59 118.64 o -5 -6 1 192.78 360.73 107.96 o -4 -6 1 5339.36 5438.87 224.93 o -3 -6 1 96.37 100.02 84.22 o -2 -6 1 1540.54 1789.19 116.98 o -1 -6 1 3036.88 2139.04 69.43 o 0 -6 1 2505.40 2610.13 83.70 o 1 -6 1 1283.01 1800.10 77.24 o 2 -6 1 91.29 358.04 84.24 o 3 -6 1 13541.52 13674.31 499.06 o 4 -6 1 5730.99 6689.57 333.65 o 5 -6 1 2746.49 2945.53 161.25 o 6 -6 1 21597.07 21493.12 621.33 o 7 -6 1 8644.10 8532.55 385.95 o 8 -6 1 2645.52 2987.09 171.00 o 9 -6 1 1585.72 1668.81 151.23 o 10 -6 1 2526.44 1867.11 173.13 o 11 -6 1 150.02 292.18 126.35 o 12 -6 1 1642.43 1364.18 174.83 o 13 -6 1 1457.66 1010.68 177.27 o -9 -5 1 381.56 410.98 126.46 o -8 -5 1 1083.88 1075.67 134.79 o -7 -5 1 2245.99 2286.22 148.87 o -6 -5 1 2279.28 2270.17 149.04 o -5 -5 1 162.55 276.45 97.42 o -4 -5 1 1017.57 1021.89 95.31 o -3 -5 1 4854.55 5638.47 252.96 o -2 -5 1 358.70 356.13 71.23 o -1 -5 1 14650.45 12092.91 634.58 o 0 -5 1 36.53 113.91 41.83 o 1 -5 1 2850.32 1919.23 132.79 o 2 -5 1 76193.34 103234.23 1410.87 o 3 -5 1 37122.03 48543.25 966.09 o 4 -5 1 1329.02 961.72 111.89 o 5 -5 1 1033.65 1340.20 116.77 o 6 -5 1 32151.81 32594.58 742.76 o 7 -5 1 2449.75 2730.23 144.40 o 8 -5 1 6361.93 5813.93 286.74 o 9 -5 1 1681.93 1367.18 143.35 o 10 -5 1 97.31 286.86 131.58 o 11 -5 1 422.40 479.67 126.51 o 12 -5 1 870.72 881.82 147.85 o 13 -5 1 1015.00 705.16 155.82 o -10 -4 1 945.09 1093.10 137.30 o -9 -4 1 101.80 36.84 110.53 o -8 -4 1 539.73 522.13 108.12 o -7 -4 1 3718.18 4086.56 192.94 o -6 -4 1 1946.94 2004.92 124.97 o -5 -4 1 6495.73 6341.24 262.62 o -4 -4 1 3566.50 3176.26 169.87 o -3 -4 1 2039.04 1965.26 133.69 o -2 -4 1 40725.91 50420.54 721.09 o -1 -4 1 14957.30 14723.95 357.87 o 0 -4 1 1363.40 834.48 123.06 o 1 -4 1 47429.86 38980.38 95.91 o 2 -4 1 81783.33 133976.69 1658.16 x 3 -4 1 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