# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_I _shelx_title ' Npba20N 20K fourier difference' _shelx_refln_list_code 4 _shelx_F_calc_maximum 641.79 _exptl_crystal_F_000 839.55 _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 -6 -1 -9 16582.83 21546.15 730.97 o -8 0 -9 31033.15 29487.99 991.18 o -6 0 -9 836.52 7225.60 886.86 o 4 0 -9 9797.96 11118.30 525.57 o -6 1 -9 20375.02 18558.08 766.44 o -4 1 -9 2535.52 6844.07 751.48 o -12 -3 -8 1564.24 8726.73 748.22 o -10 -3 -8 20557.34 23460.63 867.39 o -16 -2 -8 8076.33 7631.30 502.43 o -14 -2 -8 7765.73 6624.52 386.49 o -12 -2 -8 6459.38 5227.03 441.22 o -10 -2 -8 48639.09 46955.09 664.74 o -18 -1 -8 5518.40 4588.88 713.44 o -16 -1 -8 1073.24 1120.45 370.23 o -14 -1 -8 24012.63 23857.46 524.57 o -12 -1 -8 2997.55 4044.11 396.70 o -10 -1 -8 805.57 1305.76 252.85 o 2 -1 -8 803.22 2806.94 377.44 o -16 0 -8 16955.61 15810.01 517.06 o -14 0 -8 1562.21 800.73 366.75 o -12 0 -8 6449.49 6524.14 500.16 o -10 0 -8 241.79 1373.33 343.03 o -8 0 -8 13625.83 12914.71 386.29 o 4 0 -8 26034.85 24480.55 427.59 o -18 1 -8 6495.85 5458.02 623.25 o -14 1 -8 23893.37 24828.31 491.96 o -12 1 -8 2533.03 3501.19 722.02 o -10 1 -8 1985.08 1093.39 286.19 o -8 1 -8 5530.80 5693.81 322.87 o -6 1 -8 1768.23 2000.39 277.56 o -16 2 -8 6568.06 7805.42 799.11 o -12 2 -8 6223.95 6303.26 374.76 o -10 2 -8 47497.64 46457.04 707.57 o -8 2 -8 9457.19 9221.58 361.22 o -6 2 -8 9252.63 8816.26 399.34 o -4 2 -8 8905.05 7906.07 332.65 o 8 2 -8 9469.60 9850.44 390.81 o -12 3 -8 588.21 2216.54 703.43 o -10 3 -8 19737.69 19823.73 503.76 o -8 3 -8 3158.80 2882.87 435.98 o -6 3 -8 1693.26 984.26 370.47 o -4 3 -8 24017.90 24726.48 603.48 o -2 3 -8 41493.70 42699.91 663.98 o -2 4 -8 78998.58 83180.42 1350.60 o 0 4 -8 59352.89 61272.91 1540.50 o -16 -4 -7 6028.70 9713.96 766.70 o -20 -3 -7 753.85 69.62 423.84 o -14 -3 -7 2435.88 3914.37 409.91 o -6 -3 -7 28781.88 29440.96 516.79 o -2 -3 -7 2443.38 1995.71 299.78 o -24 -2 -7 9049.40 8346.79 638.65 o -20 -2 -7 3073.04 4070.25 406.53 o -18 -2 -7 869.48 293.18 376.24 o -16 -2 -7 1003.14 2040.30 574.22 o -14 -2 -7 4617.32 4578.28 300.48 o -12 -2 -7 4743.86 3093.48 694.25 o -10 -2 -7 7665.79 13418.75 689.02 o -8 -2 -7 934.16 1864.23 577.84 o -22 -1 -7 11014.75 13088.57 833.63 o -18 -1 -7 5445.45 4479.23 375.62 o -16 -1 -7 20821.59 19400.33 417.84 o -14 -1 -7 10992.47 10003.47 377.82 o -12 -1 -7 5453.78 5670.02 360.90 o -10 -1 -7 2973.81 828.87 536.25 o -7 -1 -7 6350.13 5556.60 964.60 o -5 -1 -7 6786.88 2959.16 785.58 o -4 -1 -7 18044.96 19236.15 474.03 o -2 -1 -7 27063.69 27132.20 484.80 o -1 -1 -7 3109.73 3101.81 818.01 o 0 -1 -7 832.37 1088.39 321.26 o -24 0 -7 96902.01 93765.32 1065.13 o -22 0 -7 65.90 252.65 657.86 o -20 0 -7 22431.24 25163.97 677.24 o -18 0 -7 1486.96 0.00 387.49 o -16 0 -7 55205.91 54258.65 625.86 o -8 0 -7 25049.72 27645.73 763.17 o -4 0 -7 36707.39 35506.94 586.03 o -3 0 -7 1187.09 2018.76 337.27 o -2 0 -7 327.86 373.58 262.49 o -1 0 -7 777.93 0.00 428.73 o 0 0 -7 119.94 234.35 362.51 o -22 1 -7 11908.28 10470.40 525.37 o -16 1 -7 19302.51 18934.28 447.08 o -14 1 -7 10987.80 9210.75 388.93 o -12 1 -7 4774.30 6198.31 658.72 o -7 1 -7 3286.75 5471.02 663.82 o -5 1 -7 3089.08 4806.23 1326.15 o -4 1 -7 18813.29 19676.27 470.68 o -2 1 -7 28006.57 26271.04 478.98 o -1 1 -7 3211.75 3194.01 483.76 o 0 1 -7 438.73 1290.61 406.60 o -20 2 -7 3551.88 2809.23 443.50 o -14 2 -7 4378.90 3868.42 393.59 o -12 2 -7 2519.49 3419.04 352.43 o -10 2 -7 5922.18 7214.09 364.76 o -8 2 -7 4536.00 1394.36 699.02 o -6 2 -7 16363.69 15610.95 412.25 o 8 2 -7 1151.98 1087.52 303.04 o -10 3 -7 311.51 920.51 324.74 o -8 3 -7 740.54 1239.71 343.21 o -6 3 -7 26008.48 27139.26 489.02 o 10 3 -7 2023.49 828.01 267.85 o -16 4 -7 7637.84 8367.41 932.99 o -6 4 -7 4719.47 4733.51 327.51 o -4 4 -7 13771.41 14308.10 494.11 o -2 4 -7 5631.66 5623.26 385.52 o 10 4 -7 715.56 2099.54 449.47 o -8 5 -7 6064.05 3019.13 667.23 o -6 5 -7 17609.11 15857.98 630.88 o -22 -4 -6 6929.60 7835.47 623.54 o -18 -4 -6 15731.72 17130.35 493.94 o -16 -4 -6 15409.69 17401.46 471.38 o -10 -4 -6 48352.02 45377.39 634.57 o -8 -4 -6 3423.87 4187.89 336.84 o -4 -4 -6 3546.35 4568.25 369.97 o -2 -4 -6 8039.92 8924.19 461.60 o 0 -4 -6 2220.97 2283.97 585.98 o -26 -3 -6 8089.54 4366.92 616.98 o -24 -3 -6 23495.84 22651.96 623.28 o -22 -3 -6 2128.27 1017.73 491.74 o -20 -3 -6 2291.61 1784.97 326.65 o -18 -3 -6 32204.46 31652.09 533.72 o -16 -3 -6 3909.32 3751.30 392.17 o -12 -3 -6 23026.02 18267.41 753.95 o -10 -3 -6 61394.09 66623.79 872.97 o -7 -3 -6 4356.67 2995.65 958.90 o -6 -3 -6 14154.29 15176.43 386.63 o -5 -3 -6 2890.43 2988.49 536.24 o -4 -3 -6 14744.12 14290.33 372.01 o -2 -3 -6 39771.17 40127.64 580.40 o -28 -2 -6 396.17 3891.22 1145.27 o -26 -2 -6 11607.85 11200.39 519.05 o -22 -2 -6 56652.38 54591.43 748.25 o -20 -2 -6 6437.88 6403.25 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7900.88 6456.36 738.57 o -26 0 -6 150.31 452.85 435.76 o -24 0 -6 95975.66 90548.02 891.05 o -22 0 -6 405.08 129.42 328.44 o -16 0 -6 928.23 671.92 420.25 o -12 0 -6 1773.18 1535.91 264.14 o -11 0 -6 999.89 602.35 234.59 o -10 0 -6 272.15 272.24 189.22 o -9 0 -6 775.82 346.91 361.57 o -8 0 -6 37243.95 36525.82 457.84 o -7 0 -6 1230.42 384.98 314.10 o -6 0 -6 19.70 279.48 167.20 o -5 0 -6 584.90 97.70 370.04 o -4 0 -6 20749.71 20097.59 332.46 o -3 0 -6 279.34 0.00 230.74 o -2 0 -6 31.47 515.04 216.02 o 0 0 -6 95420.74 88489.81 709.44 o -28 1 -6 5227.14 4103.32 525.34 o -26 1 -6 867.17 1255.77 401.90 o -24 1 -6 51165.41 48119.63 678.79 o -22 1 -6 143.20 142.81 311.26 o -20 1 -6 40726.41 39361.09 526.85 o -18 1 -6 2233.95 1941.48 292.38 o -17 1 -6 785.69 855.02 751.20 o -16 1 -6 3999.07 3217.55 430.23 o -15 1 -6 658.63 189.30 683.93 o -12 1 -6 51169.03 47389.32 707.26 o -11 1 -6 520.61 962.26 538.52 o -10 1 -6 5701.63 5650.04 249.34 o -9 1 -6 3187.25 1778.47 388.27 o -8 1 -6 995.90 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2149.50 o -7 3 -6 6247.47 3591.57 578.73 o -6 3 -6 13998.71 13308.06 579.85 o -5 3 -6 3417.80 1950.19 417.72 o -4 3 -6 13753.16 12238.81 475.68 o -2 3 -6 39198.45 39200.29 750.52 o -22 4 -6 7645.21 8816.36 811.11 o -20 4 -6 2806.74 2103.14 861.82 o -18 4 -6 15964.21 16378.35 532.54 o -16 4 -6 15226.48 18460.92 515.94 o -12 4 -6 37742.03 37396.27 624.20 o -10 4 -6 43579.91 42927.81 616.32 o -6 4 -6 23182.44 23187.16 452.64 o -4 4 -6 3866.81 4552.66 330.88 o 10 4 -6 45112.13 45868.69 600.63 o -14 5 -6 19881.92 19216.24 632.15 o -12 5 -6 57972.82 62916.51 905.36 o -10 5 -6 33487.44 37816.65 879.66 o -8 5 -6 76214.63 75428.97 1042.94 o -6 5 -6 13973.02 16635.84 481.82 o -4 5 -6 1454.46 2436.10 436.37 o -2 5 -6 72081.67 79076.67 861.55 o 0 5 -6 79194.80 82960.35 869.85 o 12 5 -6 60558.03 66759.41 825.83 o -6 6 -6 3143.44 3172.12 415.19 o -4 6 -6 31651.23 31601.65 665.66 o 0 6 -6 148082.55 135973.08 1280.11 o -16 -6 -5 15377.52 14697.78 896.42 o -8 -6 -5 21161.33 22081.30 569.16 o -20 -5 -5 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