# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_I _shelx_title ' LH6148 in Pn' _shelx_refln_list_code 4 _shelx_F_calc_maximum 297.28 _exptl_crystal_F_000 792.00 _reflns_d_resolution_high 0.8401 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x+1/2, -y, z+1/2' _cell_length_a 9.2087 _cell_length_b 10.1817 _cell_length_c 19.1576 _cell_angle_alpha 90.000 _cell_angle_beta 103.507 _cell_angle_gamma 90.000 _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 0 0 -22 371.39 452.66 36.71 o 2 0 -22 392.25 411.19 31.53 o 0 1 -22 46.93 59.37 14.34 o 1 1 -22 174.75 211.07 20.16 o 2 1 -22 91.31 101.26 20.08 o 1 2 -22 82.53 78.02 15.31 o 2 2 -22 74.44 90.70 22.46 o 3 2 -22 212.85 213.37 25.48 o 2 3 -22 89.24 79.04 20.73 o 3 3 -22 69.80 81.63 22.46 o -1 0 -21 533.27 579.21 40.17 o 1 0 -21 332.29 339.93 29.37 o -1 1 -21 0.78 -2.51 10.84 o 0 1 -21 252.99 265.58 20.91 o 1 1 -21 25.48 29.37 13.39 o 2 1 -21 241.02 248.52 18.93 o 3 1 -21 107.22 111.87 23.32 o -1 2 -21 198.09 211.95 20.13 o 0 2 -21 75.19 95.12 25.48 o 1 2 -21 54.63 36.34 12.78 o 2 2 -21 201.60 237.91 20.53 o 3 2 -21 397.55 482.46 34.55 o 0 3 -21 49.57 52.08 13.83 o 1 3 -21 96.15 97.47 32.61 o 2 3 -21 51.56 59.61 21.60 o 3 3 -21 452.79 490.24 34.55 o 1 4 -21 35.97 33.81 12.96 o 2 4 -21 362.00 339.93 31.96 o 3 4 -21 3.22 1.73 16.41 o -2 0 -20 322.43 302.78 30.67 o 0 0 -20 116.86 123.10 23.32 o 2 0 -20 940.15 970.11 44.06 o -2 1 -20 28.74 41.42 13.12 o -1 1 -20 176.06 206.81 20.76 o 0 1 -20 98.07 104.29 15.62 o 1 1 -20 141.86 169.79 18.48 o 2 1 -20 158.78 178.60 17.10 o 3 1 -20 313.07 349.00 28.51 o -2 2 -20 59.37 59.40 14.65 o -1 2 -20 51.80 66.62 14.20 o 0 2 -20 104.12 81.56 20.95 o 1 2 -20 69.02 60.53 15.77 o 2 2 -20 139.68 155.89 16.42 o 3 2 -20 154.73 186.16 25.05 o -2 3 -20 131.81 122.16 17.71 o -1 3 -20 3.02 6.38 10.57 o 0 3 -20 88.80 105.80 16.03 o 1 3 -20 20.11 22.12 10.88 o 2 3 -20 240.85 231.83 27.64 o 3 3 -20 113.97 106.25 21.16 o 4 3 -20 176.71 167.16 24.62 o -1 4 -20 211.26 230.72 20.79 o 0 4 -20 1.29 -10.06 10.06 o 1 4 -20 192.53 206.33 18.58 o 2 4 -20 29.48 18.57 17.28 o 3 4 -20 286.36 299.33 28.94 o 0 5 -20 47.46 42.25 12.96 o 1 5 -20 10.19 32.54 12.45 o 2 5 -20 310.58 342.52 31.53 o -3 0 -19 145.99 184.00 28.51 o -1 0 -19 77.33 70.84 19.87 o 1 0 -19 350.35 337.34 27.64 o 3 0 -19 200.63 218.99 22.46 o -3 1 -19 12.29 12.50 10.98 o -2 1 -19 131.40 121.21 16.97 o -1 1 -19 41.72 24.42 11.12 o 0 1 -19 90.82 75.03 25.92 o 1 1 -19 43.62 36.24 10.37 o 2 1 -19 218.71 244.47 17.71 o 3 1 -19 18.11 20.73 12.96 o -3 2 -19 50.21 38.31 13.61 o -2 2 -19 45.22 28.68 12.04 o -1 2 -19 39.79 43.99 14.90 o 0 2 -19 64.23 57.39 12.34 o 1 2 -19 1.63 5.01 9.03 o 2 2 -19 202.88 201.90 16.59 o 3 2 -19 226.75 244.90 24.62 o 4 2 -19 11.72 1.73 12.96 o -3 3 -19 11.10 23.53 12.30 o -2 3 -19 8.16 1.01 10.58 o -1 3 -19 215.04 218.88 22.03 o 0 3 -19 30.03 14.66 10.45 o 1 3 -19 80.40 70.10 13.12 o 2 3 -19 62.28 41.56 14.04 o 3 3 -19 159.91 195.23 26.35 o 4 3 -19 168.95 162.84 24.62 o -2 4 -19 153.75 149.15 19.52 o -1 4 -19 2.80 -0.32 10.76 o 0 4 -19 129.82 149.97 17.77 o 1 4 -19 44.74 54.24 12.04 o 2 4 -19 244.26 249.65 26.78 o 3 4 -19 31.23 24.62 15.98 o -1 5 -19 25.62 28.30 14.47 o 0 5 -19 7.91 -4.54 10.58 o 1 5 -19 115.37 137.62 17.33 o 2 5 -19 44.38 32.39 18.14 o 0 6 -19 29.22 22.74 12.03 o 1 6 -19 50.03 62.09 14.42 o 2 6 -19 77.29 96.32 15.12 o 3 6 -19 5.01 -3.02 15.55 o -4 0 -18 279.68 265.20 31.10 o -2 0 -18 583.31 648.32 41.03 o 0 0 -18 180.59 211.21 24.19 o 2 0 -18 461.87 506.65 31.10 o -4 1 -18 28.26 36.80 16.20 o -3 1 -18 73.83 72.89 14.50 o -2 1 -18 3.65 3.68 10.33 o -1 1 -18 317.93 330.35 20.44 o 0 1 -18 102.48 101.26 13.89 o 1 1 -18 153.54 163.60 31.10 o 2 1 -18 79.77 120.78 20.52 o 3 1 -18 229.81 210.72 15.10 o -4 2 -18 50.66 25.86 12.17 o -3 2 -18 18.63 9.07 10.69 o -2 2 -18 143.42 165.21 18.32 o -1 2 -18 221.74 227.19 18.26 o 0 2 -18 32.64 32.09 15.33 o 1 2 -18 12.71 5.11 8.39 o 2 2 -18 128.34 142.13 14.97 o 3 2 -18 140.80 174.50 21.16 o 4 2 -18 169.76 189.62 24.19 o -3 3 -18 3.98 -1.58 11.07 o -2 3 -18 368.24 404.39 37.15 o -1 3 -18 22.37 28.74 11.61 o 0 3 -18 164.09 168.60 18.20 o 1 3 -18 215.66 204.58 24.40 o 2 3 -18 77.83 94.06 13.40 o 3 3 -18 19.55 29.80 15.12 o 4 3 -18 234.43 239.72 25.05 o -3 4 -18 145.12 141.85 18.60 o -2 4 -18 1.02 -9.49 10.15 o -1 4 -18 275.22 262.42 19.31 o 0 4 -18 60.92 64.69 12.54 o 1 4 -18 63.47 87.32 13.53 o 2 4 -18 32.04 33.63 10.86 o 3 4 -18 89.72 97.62 20.73 o -2 5 -18 156.53 179.74 19.96 o -1 5 -18 22.43 25.18 12.44 o 0 5 -18 147.01 164.68 18.12 o 1 5 -18 1.55 -6.61 7.60 o 2 5 -18 168.42 198.78 17.12 o -1 6 -18 5.58 20.50 9.88 o 0 6 -18 49.97 47.54 10.72 o 1 6 -18 139.93 135.29 14.11 o 2 6 -18 78.44 90.70 15.12 o 3 6 -18 67.33 90.27 20.73 o 4 6 -18 11.16 5.18 16.41 o 5 6 -18 78.24 70.40 22.46 o 0 7 -18 11.42 16.43 12.98 o 1 7 -18 105.29 129.58 23.76 o 2 7 -18 31.35 38.44 12.53 o 3 7 -18 18.84 27.21 18.14 o 4 7 -18 70.05 88.98 22.46 o -5 0 -17 688.39 670.78 43.19 o -3 0 -17 334.75 343.81 31.10 o -1 0 -17 562.59 564.96 37.15 o 1 0 -17 1178.09 1213.28 46.22 o 3 0 -17 88.68 109.28 18.14 o -5 1 -17 138.64 158.20 27.21 o -4 1 -17 231.01 226.97 19.39 o -3 1 -17 1.01 -1.61 10.37 o -2 1 -17 782.59 744.43 28.70 o -1 1 -17 95.46 103.38 14.57 o 0 1 -17 310.62 302.88 18.77 o 1 1 -17 171.54 196.93 16.46 o 2 1 -17 390.51 438.53 20.61 o 3 1 -17 44.12 35.96 9.15 o 4 1 -17 198.71 174.93 19.44 o -4 2 -17 48.40 32.37 12.87 o -3 2 -17 221.68 217.66 19.35 o -2 2 -17 227.36 227.68 20.30 o -1 2 -17 61.04 57.80 12.91 o 0 2 -17 177.16 189.32 16.29 o 1 2 -17 231.79 209.82 15.98 o 2 2 -17 347.99 335.74 18.17 o 3 2 -17 494.69 502.58 35.42 o 4 2 -17 69.70 95.02 16.85 o -4 3 -17 4.03 4.89 11.73 o -3 3 -17 315.67 316.07 21.98 o -2 3 -17 111.18 91.26 24.84 o -1 3 -17 345.22 351.20 21.49 o 0 3 -17 111.83 131.44 15.40 o 1 3 -17 179.71 191.30 16.59 o 2 3 -17 280.10 273.79 17.09 o 3 3 -17 262.98 284.64 25.05 o 4 3 -17 41.95 39.31 13.82 o -4 4 -17 190.75 184.79 21.32 o -3 4 -17 12.31 -3.22 11.12 o -2 4 -17 691.38 709.30 41.25 o -1 4 -17 5.20 2.43 9.59 o 0 4 -17 364.51 352.42 19.44 o 1 4 -17 116.07 149.95 24.40 o 2 4 -17 295.74 293.59 17.90 o 3 4 -17 24.46 39.31 16.85 o -3 5 -17 222.94 226.63 16.06 o -2 5 -17 21.32 16.50 9.61 o -1 5 -17 169.51 195.78 18.79 o 0 5 -17 58.88 55.32 11.88 o 1 5 -17 286.05 319.92 16.48 o 2 5 -17 190.79 181.59 16.62 o -2 6 -17 62.43 70.64 14.88 o -1 6 -17 72.43 64.88 14.70 o 0 6 -17 291.67 293.56 24.84 o 1 6 -17 136.74 161.93 14.25 o 2 6 -17 111.85 164.13 25.05 o 3 6 -17 15.67 8.21 15.12 o 4 6 -17 60.76 88.11 22.03 o 5 6 -17 97.33 136.06 26.78 o 6 6 -17 143.42 142.97 26.35 o -1 7 -17 59.49 76.61 15.73 o 0 7 -17 43.96 22.16 12.96 o 1 7 -17 60.75 68.24 19.00 o 2 7 -17 74.10 109.71 23.32 o 3 7 -17 132.85 164.13 26.35 o 4 7 -17 42.17 33.26 19.44 o 5 7 -17 32.50 24.19 20.30 o 1 8 -17 24.25 26.35 18.14 o 2 8 -17 29.20 26.35 12.96 o -4 0 -16 647.40 622.41 39.74 o -2 0 -16 1208.90 1291.90 50.10 o 0 0 -16 1961.63 2015.81 59.17 o 2 0 -16 988.90 933.83 37.58 o -5 1 -16 198.82 218.60 21.66 o -4 1 -16 59.64 40.09 12.54 o -3 1 -16 500.30 537.70 26.78 o -2 1 -16 21.56 30.13 11.45 o -1 1 -16 865.33 855.72 29.00 o 0 1 -16 83.70 78.56 12.65 o 1 1 -16 1091.65 1077.89 47.30 o 2 1 -16 480.43 512.48 21.38 o 3 1 -16 259.75 241.49 15.27 o 4 1 -16 1.39 15.55 10.80 o -5 2 -16 41.41 37.54 13.39 o -4 2 -16 44.34 36.85 12.11 o -3 2 -16 416.40 412.22 23.36 o -2 2 -16 574.98 563.19 25.65 o -1 2 -16 122.97 122.83 15.10 o 0 2 -16 222.51 204.26 16.29 o 1 2 -16 527.58 511.11 22.07 o 2 2 -16 1068.44 1062.26 28.63 o 3 2 -16 489.38 477.91 20.05 o 4 2 -16 463.88 533.43 29.80 o -5 3 -16 63.38 55.59 14.65 o -4 3 -16 74.51 79.52 15.26 o -3 3 -16 47.23 36.83 12.48 o -2 3 -16 857.19 922.34 34.34 o -1 3 -16 251.43 250.29 18.12 o 0 3 -16 432.56 422.52 16.48 o 1 3 -16 117.23 140.85 11.90 o 2 3 -16 1048.26 1074.26 29.15 o 3 3 -16 271.31 285.07 25.48 o -4 4 -16 86.98 104.07 15.12 o -3 4 -16 505.00 536.05 20.59 o -2 4 -16 26.56 24.65 9.16 o -1 4 -16 751.18 777.57 22.76 o 0 4 -16 193.74 199.33 12.88 o 1 4 -16 974.96 943.92 23.35 o 2 4 -16 7.56 8.71 8.61 o 3 4 -16 227.25 256.13 25.48 o -4 5 -16 271.09 285.98 17.34 o -3 5 -16 53.47 71.30 15.06 o -2 5 -16 302.40 336.63 21.32 o -1 5 -16 59.49 73.35 20.95 o 0 5 -16 486.32 491.12 23.77 o 1 5 -16 75.61 96.71 12.74 o 2 5 -16 630.55 651.12 25.48 o -3 6 -16 160.76 202.94 20.95 o -2 6 -16 214.88 215.57 19.39 o -1 6 -16 115.57 119.95 16.42 o 0 6 -16 43.11 45.63 12.76 o 1 6 -16 441.58 439.09 18.44 o 2 6 -16 348.15 387.44 31.10 o 3 6 -16 271.54 300.19 28.08 o 4 6 -16 54.38 43.19 17.28 o 5 6 -16 119.39 176.23 27.21 o 6 6 -16 81.25 62.63 21.16 o 7 6 -16 82.89 67.81 22.03 o -2 7 -16 5.23 -8.48 11.72 o -1 7 -16 44.96 62.28 14.62 o 0 7 -16 193.00 228.06 30.67 o 1 7 -16 390.82 385.28 22.03 o 2 7 -16 112.56 168.88 25.92 o 3 7 -16 104.35 111.44 23.76 o 4 7 -16 201.57 226.33 28.08 o 5 7 -16 104.24 79.47 23.32 o 6 7 -16 20.47 12.96 19.00 o -1 8 -16 106.00 102.80 24.62 o 0 8 -16 223.95 230.65 26.78 o 1 8 -16 5.93 -14.69 14.69 o 2 8 -16 163.34 192.21 28.94 o 3 8 -16 54.01 56.58 19.87 o 4 8 -16 67.16 85.52 22.89 o -5 0 -15 309.34 292.85 29.80 o -3 0 -15 964.22 922.17 44.06 o -1 0 -15 1681.93 1628.80 52.26 o 1 0 -15 3963.71 3978.48 75.16 o 3 0 -15 130.11 149.01 18.57 o -6 1 -15 124.29 144.01 19.31 o -5 1 -15 27.79 7.11 11.25 o -4 1 -15 156.98 170.89 34.55 o -3 1 -15 299.37 309.02 20.91 o -2 1 -15 1509.15 1491.35 37.71 o -1 1 -15 191.73 206.77 17.54 o 0 1 -15 1366.94 1352.44 33.29 o 1 1 -15 610.80 606.94 22.29 o 2 1 -15 1246.04 1383.61 31.15 o 3 1 -15 78.29 80.81 12.09 o 4 1 -15 1361.15 1363.60 40.60 o -6 2 -15 95.87 94.06 17.28 o -5 2 -15 153.08 180.34 45.35 o -4 2 -15 141.40 128.16 17.38 o -3 2 -15 187.69 197.01 18.91 o -2 2 -15 385.47 420.15 39.95 o -1 2 -15 1017.48 1013.03 41.90 o 0 2 -15 406.55 425.32 25.27 o 1 2 -15 598.16 637.57 18.57 o 2 2 -15 776.50 769.31 24.08 o 3 2 -15 984.84 1048.13 26.57 o 4 2 -15 683.63 734.28 33.69 o -5 3 -15 16.52 6.87 9.19 o -4 3 -15 76.93 73.89 11.81 o -3 3 -15 489.87 524.45 19.87 o -2 3 -15 134.07 154.33 13.08 o -1 3 -15 971.73 984.12 24.07 o 0 3 -15 96.24 129.68 14.69 o 1 3 -15 1400.71 1364.64 26.03 o 2 3 -15 605.81 605.56 22.14 o 3 3 -15 330.09 338.82 33.91 o -5 4 -15 34.15 12.81 16.85 o -4 4 -15 282.12 312.01 17.42 o -3 4 -15 30.55 9.23 8.89 o -2 4 -15 1007.30 1013.69 25.90 o -1 4 -15 135.59 128.52 12.94 o 0 4 -15 1495.01 1553.20 31.10 o 1 4 -15 141.13 172.72 13.08 o 2 4 -15 816.03 823.61 31.75 o 3 4 -15 11.63 -4.32 11.23 o -5 5 -15 144.94 176.11 20.27 o -4 5 -15 34.99 42.36 13.61 o -3 5 -15 352.24 342.86 21.35 o -2 5 -15 11.72 -0.56 10.45 o -1 5 -15 664.46 704.99 27.36 o 0 5 -15 42.79 47.27 9.34 o 1 5 -15 1091.17 1136.18 33.14 o 2 5 -15 418.93 393.92 31.10 o -4 6 -15 114.93 125.89 18.12 o -3 6 -15 271.34 318.98 21.68 o -2 6 -15 376.86 349.89 22.27 o -1 6 -15 174.94 183.58 36.93 o 0 6 -15 270.90 301.11 22.46 o 1 6 -15 361.30 339.72 16.60 o 2 6 -15 597.77 673.38 38.44 o 3 6 -15 30.26 41.03 17.28 o 4 6 -15 298.74 341.22 30.23 o 5 6 -15 245.61 225.47 30.23 o 6 6 -15 287.42 272.11 28.51 o 7 6 -15 93.42 106.25 25.48 o -3 7 -15 22.02 12.59 13.61 o -2 7 -15 145.38 172.55 19.74 o -1 7 -15 271.73 265.89 20.71 o 0 7 -15 421.45 489.37 34.99 o 1 7 -15 55.91 71.70 13.82 o 2 7 -15 600.44 644.00 39.31 o 3 7 -15 636.12 649.62 40.60 o 4 7 -15 98.98 104.09 25.05 o 5 7 -15 87.34 96.75 23.32 o 6 7 -15 172.44 155.93 28.51 o -2 8 -15 14.16 5.62 17.71 o -1 8 -15 385.89 429.34 34.55 o 0 8 -15 38.18 31.96 17.28 o 1 8 -15 269.51 288.53 19.87 o 2 8 -15 64.84 85.09 21.60 o 3 8 -15 165.62 203.01 30.23 o 4 8 -15 76.63 79.91 23.32 o 5 8 -15 59.66 88.98 23.32 o 1 9 -15 19.52 33.26 18.14 o 2 9 -15 294.64 315.31 31.53 o 3 9 -15 9.63 15.55 20.30 o -6 0 -14 83.52 96.75 21.60 o -4 0 -14 725.32 727.37 40.17 o -2 0 -14 1337.00 1373.96 49.24 o 0 0 -14 3020.98 2996.28 66.52 o 2 0 -14 1410.43 1364.03 41.03 o 4 0 -14 959.41 897.55 31.10 o -6 1 -14 7.95 4.78 16.20 o -5 1 -14 18.72 31.41 12.48 o -4 1 -14 109.98 107.88 15.57 o -3 1 -14 1271.23 1385.71 37.25 o -2 1 -14 93.37 88.56 13.77 o -1 1 -14 799.05 786.93 19.34 o 0 1 -14 307.46 302.67 29.37 o 1 1 -14 2678.66 2712.61 31.71 o 2 1 -14 103.36 118.18 12.04 o 3 1 -14 712.42 729.45 21.05 o 4 1 -14 688.83 695.84 29.80 o -6 2 -14 82.31 99.86 13.57 o -5 2 -14 19.33 34.09 9.51 o -4 2 -14 60.74 70.17 11.25 o -3 2 -14 579.26 578.94 20.05 o -2 2 -14 969.69 965.33 45.35 o -1 2 -14 70.04 80.61 11.23 o 0 2 -14 446.78 436.00 15.37 o 1 2 -14 1010.68 979.21 31.53 o 2 2 -14 1246.47 1284.84 29.11 o 3 2 -14 169.29 182.54 14.65 o 4 2 -14 2082.31 2091.82 51.40 o -6 3 -14 32.75 36.78 10.86 o -5 3 -14 19.60 17.06 9.59 o -4 3 -14 428.18 459.31 19.18 o -3 3 -14 228.40 246.66 14.83 o -2 3 -14 1076.66 1019.46 24.26 o -1 3 -14 228.60 245.54 14.19 o 0 3 -14 1318.98 1309.59 25.90 o 1 3 -14 134.56 166.55 14.51 o 2 3 -14 1247.27 1279.16 29.46 o 3 3 -14 1013.80 1026.33 25.53 o -6 4 -14 28.26 31.92 11.18 o -5 4 -14 80.56 76.15 12.12 o -4 4 -14 82.62 96.98 18.57 o -3 4 -14 722.56 784.41 32.61 o -2 4 -14 25.62 20.69 10.27 o -1 4 -14 839.54 867.21 42.11 o 0 4 -14 91.20 104.58 14.32 o 1 4 -14 2357.62 2320.31 63.49 o 2 4 -14 129.02 123.57 22.46 o -5 5 -14 49.79 44.67 14.04 o -4 5 -14 321.16 366.91 22.90 o -3 5 -14 7.32 13.40 10.84 o -2 5 -14 367.60 363.58 21.49 o -1 5 -14 10.65 0.58 13.17 o 0 5 -14 1566.46 1574.20 53.13 o 1 5 -14 100.82 98.05 21.60 o 8 5 -14 123.47 130.87 25.92 o -4 6 -14 381.11 354.01 23.06 o -3 6 -14 193.65 202.29 19.99 o -2 6 -14 41.56 35.25 11.90 o -1 6 -14 225.37 234.68 18.51 o 0 6 -14 270.57 281.61 15.24 o 1 6 -14 328.45 370.59 28.94 o 2 6 -14 92.34 114.46 20.73 o 3 6 -14 453.95 488.08 34.12 o 4 6 -14 367.91 393.05 31.96 o 5 6 -14 600.05 672.94 41.47 o 6 6 -14 125.63 139.08 25.92 o 7 6 -14 316.22 320.49 31.96 o 8 6 -14 103.78 126.12 26.78 o -4 7 -14 2.23 -10.76 11.73 o -3 7 -14 64.38 110.07 35.42 o -2 7 -14 384.47 369.06 30.88 o -1 7 -14 321.87 332.22 22.07 o 0 7 -14 22.51 8.21 10.80 o 1 7 -14 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