# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_mamau1 _shelx_title ' mamau1 in P2(1)/n' _shelx_refln_list_code 4 _shelx_F_calc_maximum 353.91 _exptl_crystal_F_000 1224.00 _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 42837.87 41285.21 676.89 o 4 0 0 3978.12 4589.93 446.75 o 6 0 0 36375.56 33775.81 847.00 o 8 0 0 16819.14 17347.90 534.45 o 10 0 0 9.93 -39.44 201.30 o 1 1 0 67449.49 64053.59 322.15 o 2 1 0 17330.90 17007.51 366.70 o 3 1 0 1067.48 1506.23 275.39 o 4 1 0 11402.93 11290.41 442.22 o 5 1 0 20310.86 20287.90 519.61 o 6 1 0 646.69 638.75 283.64 o 7 1 0 22146.03 20283.44 448.47 o 8 1 0 404.73 435.71 233.77 o 9 1 0 1025.98 1010.49 246.04 o 10 1 0 1589.51 1438.75 157.72 o 11 1 0 80.37 -14.47 131.50 o 0 2 0 33106.68 31463.19 502.67 o 1 2 0 9738.61 9329.85 250.66 o 2 2 0 5121.09 5894.86 400.84 o 3 2 0 31299.50 30794.54 829.93 o 4 2 0 396.15 741.05 382.00 o 5 2 0 9155.77 8342.86 533.86 o 6 2 0 4185.60 3689.36 459.70 o 7 2 0 399.35 508.55 378.47 o 8 2 0 1706.77 1705.18 348.45 o 9 2 0 3564.35 3947.17 297.24 o 10 2 0 47.25 303.13 195.42 o 11 2 0 3197.70 3280.87 213.66 o 1 3 0 1292.22 1388.76 299.55 o 2 3 0 64003.11 61269.46 1053.01 o 3 3 0 169.60 416.14 384.36 o 4 3 0 55690.43 53876.61 1114.23 o 5 3 0 402.21 319.61 407.31 o 6 3 0 4396.31 4236.18 457.93 o 7 3 0 328.09 643.93 353.75 o 8 3 0 3141.24 3123.13 346.10 o 9 3 0 723.82 704.56 250.16 o 10 3 0 7647.29 7963.80 264.87 o 11 3 0 0.60 143.62 192.47 o 0 4 0 19705.09 18909.46 638.05 o 1 4 0 20697.32 21361.70 988.26 o 2 4 0 4909.56 5369.24 507.38 o 3 4 0 62391.85 57869.10 1193.69 o 4 4 0 5731.65 5393.37 499.14 o 5 4 0 24895.68 23512.93 765.18 o 6 4 0 2142.30 2018.91 409.67 o 7 4 0 36.49 473.24 327.26 o 8 4 0 723.17 944.12 296.07 o 9 4 0 4732.13 4717.06 289.00 o 10 4 0 162.02 -210.72 193.06 o 1 5 0 34437.01 32825.81 873.78 o 2 5 0 6499.47 9465.92 797.56 o 3 5 0 1697.62 1364.38 466.76 o 4 5 0 24442.94 21391.60 791.08 o 5 5 0 15047.87 14270.09 649.23 o 6 5 0 1185.27 687.49 386.71 o 7 5 0 2111.14 1789.94 363.76 o 8 5 0 1391.32 1033.00 291.95 o 9 5 0 1422.88 1284.33 244.27 o 10 5 0 2351.33 2453.89 203.66 o 0 6 0 32209.46 30860.46 948.24 o 1 6 0 346.66 -76.18 289.13 o 2 6 0 13002.56 14459.62 1568.04 o 3 6 0 78.67 65.33 412.02 o 4 6 0 5245.11 4121.40 503.26 o 5 6 0 15.72 70.04 403.78 o 6 6 0 18175.90 17034.76 603.32 o 7 6 0 109.91 8.83 320.20 o 8 6 0 4655.25 4326.23 326.09 o 9 6 0 60.59 387.30 212.49 o 10 6 0 0.31 -134.20 181.29 o 1 7 0 34891.02 33345.14 871.13 o 2 7 0 10740.61 11497.18 903.51 o 3 7 0 828.64 1025.35 546.81 o 4 7 0 1157.75 1198.40 410.84 o 5 7 0 15708.51 15132.99 623.33 o 6 7 0 2750.28 2531.58 383.77 o 7 7 0 8059.29 7839.60 397.90 o 8 7 0 250.36 228.97 253.10 o 9 7 0 1067.75 799.32 220.14 o 10 7 0 433.65 658.06 189.53 o 0 8 0 16057.62 14877.53 695.14 o 1 8 0 2370.75 2223.53 312.17 o 2 8 0 10518.22 10324.69 744.58 o 3 8 0 10799.65 13697.38 1098.33 o 4 8 0 520.89 1204.28 444.40 o 5 8 0 7009.97 6668.28 484.42 o 6 8 0 8070.65 7541.77 437.33 o 7 8 0 133.78 36.49 263.11 o 8 8 0 3602.10 3391.53 270.17 o 9 8 0 3466.88 3229.67 223.67 o 1 9 0 2456.86 2488.93 343.16 o 2 9 0 11252.04 12083.43 692.20 o 3 9 0 1168.66 1698.71 1205.46 o 4 9 0 7007.61 6685.35 566.24 o 5 9 0 32.40 837.58 341.98 o 6 9 0 2543.87 2309.68 327.26 o 7 9 0 1192.92 1531.55 263.69 o 8 9 0 2747.16 3117.24 242.50 o 9 9 0 398.57 527.98 184.82 o 0 10 0 1741.21 2159.58 444.98 o 1 10 0 2604.45 2613.58 363.17 o 2 10 0 95.16 168.34 441.45 o 3 10 0 9391.93 9483.57 874.08 o 4 10 0 10.19 135.97 503.84 o 5 10 0 4678.26 4199.68 412.02 o 6 10 0 188.29 -401.43 281.94 o 7 10 0 363.42 374.94 231.91 o 8 10 0 113.90 638.63 188.94 o 9 10 0 2953.02 2747.60 221.31 o 1 11 0 8449.79 7594.80 423.50 o 2 11 0 11242.92 11145.20 573.30 o 3 11 0 189.45 1088.92 465.00 o 4 11 0 6217.65 4233.82 850.53 o 5 11 0 2521.73 3346.21 359.05 o 6 11 0 1633.17 2060.70 264.28 o 7 11 0 1662.34 1769.34 226.61 o 8 11 0 2445.56 2850.02 204.83 o 0 12 0 10239.17 9839.09 484.42 o 1 12 0 2810.68 2413.26 269.58 o 2 12 0 3607.91 3828.27 391.42 o 3 12 0 3459.75 3685.24 423.79 o 4 12 0 1371.90 1258.43 765.77 o 5 12 0 2466.28 3131.37 359.64 o 6 12 0 6113.77 6136.78 299.01 o 7 12 0 0.56 -82.40 176.58 o 8 12 0 2256.39 2139.57 214.84 o 1 13 0 6818.60 6405.69 268.82 o 2 13 0 276.00 -599.20 310.78 o 3 13 0 219.39 364.93 318.43 o 4 13 0 43.07 -51.80 456.17 o 5 13 0 3435.77 3860.65 436.15 o 6 13 0 351.39 669.83 217.19 o 7 13 0 3214.40 3316.19 224.26 o 0 14 0 4435.13 4737.67 309.61 o 1 14 0 79.59 29.20 244.27 o 2 14 0 3170.01 3408.01 293.12 o 3 14 0 3785.44 3366.22 314.31 o 4 14 0 624.42 1037.71 325.50 o 5 14 0 692.54 834.05 479.12 o 6 14 0 2744.46 2794.69 271.35 o 1 15 0 1199.27 957.50 164.99 o 2 15 0 2571.79 2413.86 251.92 o 3 15 0 49.33 148.92 217.19 o 4 15 0 3797.09 4087.85 281.94 o 5 15 0 590.81 -164.22 532.69 o 0 16 0 38.13 -183.64 190.12 o 1 16 0 369.93 308.10 131.89 o 2 16 0 293.39 500.31 190.12 o 3 16 0 5121.35 5472.24 258.99 o 4 16 0 33.34 -138.32 241.33 o 1 17 0 214.49 379.21 174.52 o 2 17 0 2091.02 2126.62 223.67 o -11 0 1 731.48 583.89 191.88 o -9 0 1 16593.17 16063.57 444.40 o -7 0 1 6449.03 5971.38 473.24 o -5 0 1 2065.02 1995.36 410.84 o -3 0 1 56079.85 51526.90 940.59 o -1 0 1 96971.21 90220.07 1905.60 o 1 0 1 9528.40 9558.06 204.53 o 3 0 1 12691.42 12240.00 588.01 o 5 0 1 25437.92 23635.94 795.79 o 7 0 1 941.71 1074.20 377.29 o 9 0 1 4504.06 4373.91 304.90 o 11 0 1 1833.39 1789.94 202.48 o -11 1 1 274.15 57.25 131.91 o -10 1 1 3875.80 4364.63 177.50 o -9 1 1 9.31 198.02 256.34 o -8 1 1 16689.39 16615.21 380.39 o -7 1 1 984.70 1059.67 271.74 o -6 1 1 549.14 888.58 267.19 o -5 1 1 1109.61 564.46 301.28 o -4 1 1 15056.30 13941.25 460.20 o -3 1 1 2071.40 2468.42 498.84 o -2 1 1 15074.44 14750.19 370.53 o -1 1 1 2222.21 2175.21 133.64 o 0 1 1 10445.83 2381.78 1378.18 o 1 1 1 4731.16 4571.52 123.33 o 2 1 1 17899.57 17892.94 383.10 o 3 1 1 8361.49 8005.26 647.76 o 4 1 1 24018.51 21395.89 541.01 o 5 1 1 922.90 748.27 500.02 o 6 1 1 13138.52 12198.57 590.96 o 7 1 1 6739.26 6647.48 665.12 o 8 1 1 1653.00 1198.54 242.00 o 9 1 1 2695.76 2691.43 235.44 o 10 1 1 3199.04 3127.40 161.28 o 11 1 1 13.68 -35.90 133.19 o -11 2 1 169.88 516.20 186.59 o -10 2 1 123.39 20.60 201.30 o -9 2 1 3718.88 3378.58 301.95 o -8 2 1 1815.76 1828.20 349.04 o -7 2 1 1045.66 842.88 370.82 o -6 2 1 10545.94 10011.55 544.46 o -5 2 1 870.77 666.30 412.61 o -4 2 1 2231.77 2291.43 436.74 o -3 2 1 15048.42 15373.13 630.39 o -2 2 1 122.51 372.00 316.67 o -1 2 1 33944.04 34695.95 2474.19 o 0 2 1 2795.95 2759.81 164.96 o 1 2 1 29.41 223.14 161.89 o 2 2 1 73756.69 69345.68 1021.23 o 3 2 1 7579.09 6717.14 529.15 o 4 2 1 242.88 379.06 402.02 o 5 2 1 13324.86 12528.42 631.57 o 6 2 1 15383.21 14032.30 612.74 o 7 2 1 877.53 394.36 376.71 o 8 2 1 13340.47 13658.53 478.53 o 9 2 1 1389.12 1519.77 261.34 o 10 2 1 1022.23 1326.12 201.89 o 11 2 1 1596.21 1659.27 206.01 o -11 3 1 4146.22 4111.98 229.56 o -10 3 1 44.29 129.49 203.66 o -9 3 1 323.82 200.71 254.28 o -8 3 1 225.13 111.25 310.78 o -7 3 1 15249.37 14439.61 560.94 o -6 3 1 1364.77 566.24 431.45 o -5 3 1 39185.68 36386.26 923.52 o -4 3 1 1033.25 598.02 414.97 o -3 3 1 9613.44 9219.88 582.13 o -2 3 1 3021.04 3048.38 479.12 o -1 3 1 8324.17 8279.48 401.40 o 0 3 1 114.84 256.69 191.48 o 1 3 1 48392.71 49570.14 4818.30 o 2 3 1 28333.49 27202.88 764.01 o 3 3 1 23303.34 21325.68 753.41 o 4 3 1 1442.30 1917.67 440.28 o 5 3 1 4783.40 4304.45 492.66 o 6 3 1 2205.63 2568.08 423.21 o 7 3 1 21808.12 20312.69 610.38 o 8 3 1 696.84 1011.22 297.83 o 9 3 1 6335.06 6567.63 309.61 o 10 3 1 263.56 73.58 193.06 o -11 4 1 121.60 -31.78 198.95 o -10 4 1 815.38 769.89 201.30 o -9 4 1 1298.06 1160.73 263.11 o -8 4 1 3724.98 3340.32 347.28 o -7 4 1 2810.10 1797.01 390.83 o -6 4 1 21709.30 20370.96 684.55 o -5 4 1 20.67 66.51 398.48 o -4 4 1 24169.14 22465.21 815.22 o -3 4 1 5072.25 4009.56 523.86 o -2 4 1 8828.40 10031.56 699.85 o -1 4 1 12950.63 13544.03 1900.30 o 0 4 1 39529.34 37832.21 601.03 o 1 4 1 1707.41 1920.31 280.51 o 2 4 1 61000.32 56356.39 1071.26 o 3 4 1 2951.00 3235.55 399.07 o 4 4 1 112.66 -216.61 388.48 o 5 4 1 2673.03 2973.03 431.45 o 6 4 1 8306.59 7892.58 519.15 o 7 4 1 217.84 179.52 343.74 o 8 4 1 9912.35 9719.01 402.60 o 9 4 1 778.45 857.01 243.68 o 10 4 1 825.24 1015.93 191.30 o -10 5 1 2050.67 2426.22 200.71 o -9 5 1 189.50 141.26 232.50 o -8 5 1 1458.45 915.28 300.78 o -7 5 1 2686.48 2513.92 376.71 o -6 5 1 375.72 149.51 378.47 o -5 5 1 13208.96 12630.24 609.20 o -4 5 1 26064.61 23265.13 857.01 o -3 5 1 682.47 -184.23 490.31 o -2 5 1 12625.69 12981.05 1121.29 o -1 5 1 759.67 625.30 316.30 o 0 5 1 1748.53 1960.97 323.44 o 1 5 1 24998.48 22990.45 973.84 o 2 5 1 14212.32 13398.96 723.98 o 3 5 1 8652.13 8328.14 583.89 o 4 5 1 51598.59 48319.01 1068.90 o 5 5 1 991.13 1112.46 390.24 o 6 5 1 2959.80 2762.31 414.38 o 7 5 1 3382.00 2469.78 384.36 o 8 5 1 20.41 55.92 270.17 o 9 5 1 2493.72 2785.86 243.09 o 10 5 1 3928.42 3796.49 215.43 o -10 6 1 183.33 -24.72 184.82 o -9 6 1 6277.37 5760.07 279.00 o -8 6 1 429.43 648.05 271.35 o -7 6 1 2760.83 2428.58 368.47 o -6 6 1 543.45 433.21 357.28 o -5 6 1 4896.84 4751.79 500.31 o -4 6 1 5479.16 5654.71 553.88 o -3 6 1 28784.88 26811.46 1039.47 o -2 6 1 5265.79 4471.62 1495.64 o -1 6 1 14489.97 14033.63 834.64 o 0 6 1 1542.88 1495.98 645.40 o 1 6 1 2832.50 2906.16 386.42 o 2 6 1 2170.12 4598.76 934.70 o 3 6 1 34732.30 33414.41 942.94 o 4 6 1 1500.17 1466.21 452.05 o 5 6 1 18113.92 17993.01 646.29 o 6 6 1 317.42 167.75 343.74 o 7 6 1 1216.50 1383.81 330.21 o 8 6 1 395.43 412.61 256.04 o 9 6 1 2296.55 2190.78 233.09 o 10 6 1 509.14 270.76 190.12 o -10 7 1 5286.68 5071.40 231.32 o -9 7 1 19.23 -47.09 209.54 o -8 7 1 5178.55 5308.61 316.08 o -7 7 1 1404.64 1150.13 320.79 o -6 7 1 1131.15 1331.42 379.65 o -5 7 1 236.41 -161.87 397.31 o -4 7 1 30319.92 29858.06 910.57 o -3 7 1 6604.92 8831.99 809.33 o -2 7 1 47076.10 47172.41 1628.66 o -1 7 1 90.31 273.61 295.83 o 0 7 1 7496.98 6616.47 645.11 o 1 7 1 127.52 -21.09 283.56 o 2 7 1 10762.95 12524.30 722.22 o 3 7 1 1499.00 784.61 467.94 o 4 7 1 24598.53 21438.10 769.89 o 5 7 1 1259.63 1559.21 387.30 o 6 7 1 3125.25 2978.92 387.89 o 7 7 1 652.91 608.03 285.47 o 8 7 1 191.95 -79.46 241.92 o 9 7 1 48.47 -41.79 197.77 o 10 7 1 3748.98 3695.25 221.90 o -10 8 1 168.37 273.70 190.12 o -9 8 1 5499.02 5144.39 247.21 o -8 8 1 1821.11 1903.54 253.10 o -7 8 1 2950.08 2264.36 322.55 o -6 8 1 9814.87 9586.58 486.19 o -5 8 1 413.47 575.07 400.84 o -4 8 1 1537.17 900.56 503.84 o -3 8 1 20710.71 27497.18 1391.46 o -2 8 1 227.14 85.94 597.43 o -1 8 1 14263.22 14317.76 1045.06 o 0 8 1 13689.04 11838.19 484.09 o 1 8 1 94.47 438.49 276.57 o 2 8 1 6186.36 5680.61 583.31 o 3 8 1 12465.25 13092.89 898.80 o 4 8 1 945.41 1190.16 399.66 o 5 8 1 8512.03 7660.67 480.30 o 6 8 1 4288.59 3891.25 381.41 o 7 8 1 792.53 891.15 273.11 o 8 8 1 5145.31 5415.74 265.46 o 9 8 1 488.50 266.05 189.53 o -9 9 1 61.36 38.26 184.23 o -8 9 1 445.31 287.24 224.26 o -7 9 1 8616.81 8654.23 354.93 o -6 9 1 240.69 396.72 308.43 o -5 9 1 4218.24 3935.40 428.50 o -4 9 1 1577.52 1514.48 558.00 o -3 9 1 1849.62 4441.01 1233.71 o -2 9 1 2655.91 3863.59 595.67 o -1 9 1 18938.05 17528.42 519.71 o 0 9 1 1150.28 830.92 372.00 o 1 9 1 40878.02 37021.14 673.39 o 2 9 1 50.42 -390.24 446.16 o 3 9 1 7485.83 9055.07 1230.18 o 4 9 1 1108.41 590.96 413.79 o 5 9 1 1380.08 1552.73 353.75 o 6 9 1 1450.59 1503.29 304.90 o 7 9 1 13732.72 13096.42 377.88 o 8 9 1 2.80 -115.37 205.42 o 9 9 1 2459.65 2455.65 210.72 o -9 10 1 370.38 552.11 193.06 o -8 10 1 1918.84 1862.93 214.84 o -7 10 1 36.10 0.00 233.68 o -6 10 1 12218.82 11882.72 427.91 o -5 10 1 793.01 613.32 382.00 o -4 10 1 4343.36 5250.34 699.26 o -3 10 1 658.45 -164.81 772.25 o -2 10 1 1289.81 1352.61 487.36 o -1 10 1 1242.14 433.55 313.30 o 0 10 1 32983.65 29507.06 599.32 o 1 10 1 833.41 942.60 290.25 o 2 10 1 13337.81 12484.86 604.50 o 3 10 1 196.97 618.62 542.10 o 4 10 1 354.14 246.62 444.40 o 5 10 1 694.71 441.45 323.73 o 6 10 1 8300.82 8149.80 350.22 o 7 10 1 17.87 -101.83 221.90 o 8 10 1 7437.59 7484.09 254.28 o 9 10 1 29.63 -123.61 191.88 o -8 11 1 1874.02 1780.52 204.83 o -7 11 1 5655.25 5605.86 270.17 o -6 11 1 122.61 199.54 266.05 o -5 11 1 6025.88 6311.59 442.63 o -4 11 1 3580.49 3545.74 869.96 o -3 11 1 1736.22 2210.20 579.77 o -2 11 1 11375.53 11132.25 606.26 o -1 11 1 7008.69 7235.24 351.99 o 0 11 1 2195.84 2332.36 293.86 o 1 11 1 11989.92 11548.05 390.52 o 2 11 1 1167.01 616.86 383.77 o 3 11 1 1061.57 1613.95 437.92 o 4 11 1 3404.10 3539.27 692.20 o 5 11 1 172.97 347.28 282.53 o 6 11 1 1049.74 1048.89 247.80 o 7 11 1 5172.37 4763.56 248.98 o 8 11 1 2.37 197.77 182.47 o -8 12 1 296.82 84.76 196.59 o -7 12 1 1594.69 1617.48 211.90 o -6 12 1 1292.80 1450.91 273.11 o -5 12 1 836.63 706.32 391.42 o -4 12 1 1108.12 888.79 836.40 o -3 12 1 10425.82 10826.76 585.07 o -2 12 1 335.10 70.63 377.88 o -1 12 1 8823.94 8558.36 628.92 o 0 12 1 3426.27 3561.77 274.28 o 1 12 1 1.29 136.78 491.48 o 2 12 1 177.29 467.94 334.33 o 3 12 1 4472.53 5043.15 404.96 o 4 12 1 287.34 945.30 715.15 o 5 12 1 6624.83 7441.12 368.47 o 6 12 1 592.42 424.97 222.49 o 7 12 1 276.86 401.43 178.94 o -7 13 1 16.49 182.47 198.95 o -6 13 1 1.52 -514.44 243.68 o -5 13 1 7.88 517.97 420.26 o -4 13 1 5199.10 6351.62 575.07 o -3 13 1 333.05 1020.05 345.51 o -2 13 1 8567.52 8017.95 423.79 o -1 13 1 60.85 89.04 500.90 o 0 13 1 1553.33 1684.03 509.44 o 1 13 1 78.63 183.26 227.79 o 2 13 1 3250.06 3177.87 324.32 o 3 13 1 82.46 198.36 283.71 o 4 13 1 7780.71 8749.00 499.14 o 5 13 1 712.92 505.61 323.14 o 6 13 1 2786.41 2847.07 222.49 o 7 13 1 34.94 27.66 187.18 o -6 14 1 1012.34 1348.49 278.41 o -5 14 1 1021.09 1014.75 512.67 o -4 14 1 753.52 696.91 359.64 o -3 14 1 7755.60 8197.47 383.18 o -2 14 1 829.14 637.46 280.18 o -1 14 1 2486.10 2414.05 192.47 o 0 14 1 808.40 964.56 185.46 o 1 14 1 54.97 -77.42 175.43 o 2 14 1 3512.23 4222.64 287.24 o 3 14 1 5830.53 5970.79 312.55 o 4 14 1 15.08 304.90 271.35 o 5 14 1 5146.98 5567.01 490.31 o 6 14 1 428.34 336.09 221.31 o -5 15 1 3502.19 4164.96 588.60 o -4 15 1 604.66 566.82 270.76 o -3 15 1 408.27 482.65 241.33 o -2 15 1 1881.09 1878.82 250.74 o -1 15 1 1558.65 1624.19 164.85 o 0 15 1 449.48 623.18 155.72 o 1 15 1 4330.21 3867.15 183.71 o 2 15 1 687.12 874.08 222.49 o 3 15 1 2110.95 2692.27 234.85 o 4 15 1 1558.63 1442.08 236.03 o 5 15 1 104.18 1300.22 485.60 o -4 16 1 3316.77 3477.47 286.06 o -3 16 1 8.76 177.17 213.66 o -2 16 1 203.88 64.75 193.65 o -1 16 1 31.49 21.22 128.14 o 0 16 1 2678.04 2539.09 147.71 o 1 16 1 486.54 386.49 132.35 o 2 16 1 5458.32 5476.36 234.85 o 3 16 1 104.25 34.14 201.30 o 4 16 1 157.90 215.43 220.14 o -2 17 1 750.15 984.73 213.07 o -1 17 1 1349.97 1177.31 229.56 o 0 17 1 52.86 -120.10 188.35 o 1 17 1 3519.88 3585.60 158.57 o -10 0 2 5929.64 5490.49 277.23 o -8 0 2 1424.09 751.06 371.41 o -6 0 2 23345.55 24120.96 728.10 o -4 0 2 19340.34 19394.47 723.39 o -2 0 2 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