# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_bi _shelx_title ' Na2Bi5/3(Me-alpha-D-manp2,3,4H-3)2(OH) . 11.7 H2O' _shelx_refln_list_code 4 _shelx_F_calc_maximum 708.62 _exptl_crystal_F_000 5880.00 _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 0 0 2 205815.70 122674.39 29565.33 o 1 0 2 45312.14 38289.66 1072.60 o -1 1 2 218819.64 192093.72 2286.68 o 0 1 2 7278.45 7571.71 600.26 o 1 1 2 227498.53 189209.81 2036.08 o -2 2 2 145079.95 145872.69 3345.14 o -1 2 2 59490.55 60774.45 1439.33 o 0 2 2 49041.55 45560.05 1050.12 o 1 2 2 64157.99 64321.79 1296.68 o 2 2 2 227549.53 245427.28 4064.02 o 1 0 3 291479.78 295346.81 2784.25 o 2 0 3 60109.98 61257.47 1310.05 o -2 1 3 87178.80 84075.95 1349.81 o -1 1 3 8245.58 7455.31 939.04 o 0 1 3 42202.95 31457.83 1021.59 o 1 1 3 10222.18 9582.82 767.40 o 2 1 3 77564.34 74596.27 1345.82 o -2 2 3 154321.36 153137.84 1655.36 o -1 2 3 95661.05 96108.21 1328.94 o 0 2 3 5923.94 6280.67 780.70 o 1 2 3 128466.02 131590.88 1478.39 o 2 2 3 175918.16 179286.28 1648.00 o -3 3 3 316101.06 331766.69 6309.33 o -2 3 3 177331.59 177306.27 1617.49 o -1 3 3 100543.98 100729.52 1338.69 o 0 3 3 7769.17 8306.83 856.75 o 1 3 3 93877.46 95003.73 1294.78 o 2 3 3 203368.62 209190.36 2039.02 o 3 3 3 307892.62 325879.81 3165.92 o 0 0 4 186858.56 205047.59 2224.74 o 1 0 4 7716.52 9040.66 836.98 o 2 0 4 127530.84 136072.95 1474.51 o 3 0 4 876.08 619.11 907.77 o -3 1 4 44125.47 45526.08 1141.56 o -2 1 4 41612.86 45022.60 1056.17 o -1 1 4 59865.35 64568.92 1232.91 o 0 1 4 689.27 646.89 772.10 o 1 1 4 63560.36 68297.63 1119.44 o 2 1 4 33978.77 35822.35 1054.26 o 3 1 4 63726.91 67568.37 1206.35 o -3 2 4 92804.89 96988.34 1321.81 o -2 2 4 39656.78 43530.12 1098.24 o -1 2 4 23136.62 20598.31 894.21 o 0 2 4 215077.69 225170.33 1625.48 o 1 2 4 25521.53 23118.19 909.10 o 2 2 4 42008.14 44101.24 1052.27 o 3 2 4 99959.13 100223.32 1356.63 o -3 3 4 155227.91 161334.22 1390.54 o -2 3 4 40940.57 40260.31 904.58 o -1 3 4 88498.83 93710.19 1174.66 o 0 3 4 259683.64 290051.88 3098.13 o 1 3 4 106091.59 115100.31 1352.37 o 2 3 4 45802.04 44154.28 1087.25 o 3 3 4 141017.03 141128.12 1355.46 o -4 4 4 342322.66 358791.88 4833.66 o -3 4 4 97994.27 104350.20 1169.19 o -2 4 4 124312.54 137005.84 1344.76 o -1 4 4 61375.35 62154.77 1069.53 o 0 4 4 159902.72 165081.53 1441.33 o 1 4 4 43548.05 42373.02 992.55 o 2 4 4 121083.23 133466.05 1433.24 o 3 4 4 128384.66 147722.23 1358.17 o 4 4 4 290840.25 307481.06 3782.14 o 1 0 5 21664.99 24946.60 870.24 o 2 0 5 63324.89 71090.98 1109.93 o 3 0 5 11510.58 11341.77 918.00 o 4 0 5 22155.35 19467.54 882.78 o -4 1 5 243047.77 251662.91 1949.52 o -3 1 5 71221.64 76552.21 1129.25 o -2 1 5 104053.53 108405.24 1282.88 o -1 1 5 4051.43 3282.88 877.07 o 0 1 5 234180.98 261484.67 1593.86 o 1 1 5 2939.30 2434.39 784.57 o 2 1 5 115351.83 123128.26 1265.70 o 3 1 5 63958.96 67889.31 1096.66 o 4 1 5 229039.75 237118.58 1638.71 o -4 2 5 121424.49 125523.38 1326.05 o -3 2 5 250286.83 277020.06 3898.47 o -2 2 5 125641.67 136809.39 1357.60 o -1 2 5 26807.01 28863.60 813.97 o 0 2 5 12952.31 13436.49 848.59 o 1 2 5 29117.77 32109.61 905.32 o 2 2 5 118352.60 126022.70 1249.98 o 3 2 5 262531.19 286891.88 1829.86 o 4 2 5 127739.52 131335.66 1238.99 o -4 3 5 412065.25 442242.12 5132.24 o -3 3 5 175738.44 190745.33 1984.71 o -2 3 5 168127.70 186175.72 1360.10 o -1 3 5 40770.10 45794.95 956.84 o 0 3 5 30034.58 33524.60 882.47 o 1 3 5 55207.85 61341.46 997.41 o 2 3 5 157513.14 174434.53 1383.46 o 3 3 5 189100.44 207757.48 1671.25 o 4 3 5 421154.31 454993.44 2535.54 o -4 4 5 118057.61 116437.01 1255.14 o -3 4 5 196422.72 204740.88 1460.49 o -2 4 5 26128.68 26057.64 929.29 o -1 4 5 239152.09 257195.86 2236.14 o 0 4 5 41831.01 42276.61 1011.56 o 1 4 5 248295.45 269717.88 1618.16 o 2 4 5 40659.60 41754.55 1008.60 o 3 4 5 194342.73 203251.02 1451.24 o 4 4 5 127519.95 127642.03 1093.25 o -5 5 5 446751.81 468500.84 10781.59 o -4 5 5 20792.96 21738.89 869.98 o -3 5 5 18756.14 17828.29 780.29 o -2 5 5 188688.30 197365.89 1429.39 o -1 5 5 171075.80 179718.86 1567.61 o 0 5 5 16080.37 19287.92 852.52 o 1 5 5 177207.58 185593.47 1346.90 o 2 5 5 191623.06 204498.12 1424.60 o 3 5 5 19671.00 19268.29 752.54 o 4 5 5 25317.20 25834.74 744.23 o 5 5 5 436042.59 458311.31 2985.00 o 0 0 6 89028.77 91862.28 1583.51 o 1 0 6 661.19 2107.75 694.08 o 2 0 6 128353.73 132609.36 1300.48 o 3 0 6 201547.86 217638.19 1501.29 o 4 0 6 40211.46 42744.37 980.84 o 5 0 6 106453.08 112763.27 1211.74 o -5 1 6 40955.81 41453.62 934.91 o -4 1 6 163853.89 180650.97 1413.70 o -3 1 6 180776.22 190975.16 1682.64 o -2 1 6 48190.35 51487.34 972.95 o -1 1 6 56111.00 58707.64 1104.43 o 0 1 6 1112.99 1785.90 706.86 o 1 1 6 47075.03 47782.03 886.90 o 2 1 6 40509.04 40796.99 891.34 o 3 1 6 161256.36 167832.72 1434.71 o 4 1 6 170579.86 187702.84 1444.49 o 5 1 6 53199.73 54226.43 883.12 o -5 2 6 107872.43 117364.12 1215.79 o -4 2 6 113073.89 117473.70 1227.37 o -3 2 6 116636.35 122645.85 1190.10 o -2 2 6 205134.89 210099.70 1543.06 o -1 2 6 116480.52 127029.27 1157.56 o 0 2 6 399.04 636.64 737.04 o 1 2 6 96903.63 103835.43 1073.59 o 2 2 6 205987.48 212236.19 2424.54 o 3 2 6 107250.53 110645.77 1145.63 o 4 2 6 105895.16 106358.45 1122.33 o 5 2 6 108389.12 118327.74 1055.68 o -5 3 6 13342.13 13153.08 847.74 o -4 3 6 91424.56 92270.73 1122.52 o -3 3 6 46698.01 51139.07 1015.90 o -2 3 6 101067.68 108378.50 1115.80 o -1 3 6 101684.66 108037.38 1100.70 o 0 3 6 978.30 1344.38 741.21 o 1 3 6 95385.80 98010.36 1102.03 o 2 3 6 106945.45 113549.19 1144.24 o 3 3 6 44133.88 48025.27 884.43 o 4 3 6 108121.41 109735.31 1132.73 o 5 3 6 12599.60 12294.66 668.86 o -5 4 6 283589.56 299321.75 2466.06 o -4 4 6 19970.09 20701.66 867.94 o -3 4 6 15462.17 16833.50 800.96 o -2 4 6 69781.66 69921.32 915.03 o -1 4 6 47060.86 51236.39 910.93 o 0 4 6 42033.77 44763.53 872.27 o 1 4 6 43092.72 45735.78 818.80 o 2 4 6 73167.96 73140.29 1027.72 o 3 4 6 11812.27 12858.12 762.91 o 4 4 6 27565.32 29153.30 881.50 o 5 4 6 275967.16 289125.28 1406.47 o -5 5 6 25930.97 25420.67 832.55 o -4 5 6 55757.22 55685.04 1007.55 o -3 5 6 85702.73 87947.38 1028.09 o -2 5 6 36404.96 37992.33 891.86 o -1 5 6 9768.67 8614.04 787.97 o 0 5 6 44811.98 42526.64 882.17 o 1 5 6 9549.56 8655.00 781.44 o 2 5 6 30010.32 31108.34 900.90 o 3 5 6 88833.23 91613.80 1074.25 o 4 5 6 48551.77 48616.09 926.39 o 5 5 6 23946.33 23018.13 691.43 o -6 6 6 118703.09 120939.34 1917.18 o -5 6 6 169742.33 175735.47 1229.99 o -4 6 6 100153.47 102252.97 1054.57 o -3 6 6 131201.81 133705.30 1167.34 o -2 6 6 60742.31 62074.19 929.58 o -1 6 6 145953.44 145963.06 1171.94 o 0 6 6 87873.30 88734.96 1048.84 o 1 6 6 128701.31 128256.43 1098.77 o 2 6 6 59168.63 60036.97 883.62 o 3 6 6 143516.00 147779.20 1470.56 o 4 6 6 100008.27 101274.77 1171.08 o 5 6 6 148795.83 151522.97 1100.44 o 6 6 6 157654.98 164814.80 1936.05 o 1 0 7 121207.90 125449.20 1072.65 o 2 0 7 281809.19 310308.12 1710.95 o 3 0 7 38637.20 39761.05 902.01 o 4 0 7 36484.80 37422.89 891.60 o 5 0 7 31948.12 34911.64 880.79 o 6 0 7 233449.55 238003.00 1936.42 o -6 1 7 8594.03 8890.30 733.13 o -5 1 7 291272.91 305605.25 1676.34 o -4 1 7 127116.12 131684.52 1180.33 o -3 1 7 1859.31 2062.23 731.11 o -2 1 7 324840.31 353166.28 3619.60 o -1 1 7 127326.80 122404.40 1218.59 o 0 1 7 168.01 618.13 668.93 o 1 1 7 132375.27 131143.52 1123.41 o 2 1 7 305422.31 327173.50 3145.31 o 3 1 7 1500.73 2371.38 710.57 o 4 1 7 114457.70 117597.61 1133.53 o 5 1 7 283079.97 293966.22 1874.49 o 6 1 7 5689.39 5569.78 713.11 o -6 2 7 128703.10 135111.55 1243.49 o -5 2 7 15447.16 15581.55 810.41 o -4 2 7 192979.59 199774.62 1345.00 o -3 2 7 33042.66 35976.31 902.77 o -2 2 7 92348.17 97314.90 1105.63 o -1 2 7 50125.77 53650.88 913.43 o 0 2 7 87822.15 92914.45 999.16 o 1 2 7 49502.44 52852.88 829.33 o 2 2 7 88764.88 91379.38 1049.53 o 3 2 7 28885.39 29936.02 703.49 o 4 2 7 233228.72 240993.23 1564.75 o 5 2 7 17271.77 17647.90 766.65 o 6 2 7 122114.30 128630.51 1045.67 o -6 3 7 25468.37 24408.15 787.29 o -5 3 7 78832.16 80188.48 1033.75 o -4 3 7 17797.49 19040.32 761.84 o -3 3 7 63746.06 66567.22 999.17 o -2 3 7 47858.00 52117.15 881.78 o -1 3 7 91918.18 97430.44 1015.64 o 0 3 7 246304.53 264162.53 1674.01 o 1 3 7 84659.66 87101.73 985.38 o 2 3 7 52966.44 58226.32 901.78 o 3 3 7 71971.41 75733.29 1015.24 o 4 3 7 15882.18 17422.82 761.92 o 5 3 7 70659.40 69438.95 960.80 o 6 3 7 29726.52 28439.67 777.74 o -6 4 7 59214.40 60658.30 880.75 o -5 4 7 23406.04 22710.83 805.43 o -4 4 7 10074.18 10657.08 796.19 o -3 4 7 46040.13 46626.28 852.29 o -2 4 7 57321.70 58290.26 911.13 o -1 4 7 326.06 355.42 611.22 o 0 4 7 71715.15 75281.67 910.42 o 1 4 7 2235.77 2302.16 694.64 o 2 4 7 52905.62 52500.40 886.62 o 3 4 7 40974.69 40620.21 800.69 o 4 4 7 11402.26 11666.19 745.39 o 5 4 7 26275.48 26074.41 733.78 o 6 4 7 43242.57 42421.01 766.65 o -6 5 7 141448.11 141989.64 1151.37 o -5 5 7 128709.92 134641.69 1224.75 o -4 5 7 638.05 925.80 712.56 o -3 5 7 50886.51 51065.54 854.89 o -2 5 7 125933.58 129787.57 1097.67 o -1 5 7 19136.67 20151.40 811.05 o 0 5 7 53718.34 53371.05 881.51 o 1 5 7 21199.91 22452.80 810.53 o 2 5 7 110558.46 111756.63 1095.74 o 3 5 7 43895.73 42387.12 820.16 o 4 5 7 984.22 1106.91 630.98 o 5 5 7 150077.56 155127.81 1066.15 o 6 5 7 136780.08 135791.69 1030.76 o -6 6 7 48270.76 45999.10 892.47 o -5 6 7 231893.03 235335.98 1759.99 o -4 6 7 39858.28 38499.11 857.93 o -3 6 7 61882.78 63997.32 913.07 o -2 6 7 660.76 961.85 670.40 o -1 6 7 25855.71 27419.60 824.32 o 0 6 7 37293.57 37024.12 862.86 o 1 6 7 22729.00 24060.80 800.12 o 2 6 7 2485.65 1974.57 732.03 o 3 6 7 51246.68 52442.39 919.13 o 4 6 7 35158.29 31751.60 809.95 o 5 6 7 218396.03 218153.19 1444.72 o 6 6 7 38262.70 36027.39 795.56 o -7 7 7 18318.40 18847.62 1296.37 o -6 7 7 109078.80 111367.95 1070.03 o -5 7 7 23468.73 25051.35 808.07 o -4 7 7 17818.23 18754.69 784.43 o -3 7 7 222013.92 226431.47 1313.53 o -2 7 7 74593.48 76269.95 966.76 o -1 7 7 34824.00 35384.29 814.87 o 0 7 7 94566.02 95942.80 1008.46 o 1 7 7 31235.55 31848.56 816.58 o 2 7 7 62722.92 62360.71 858.74 o 3 7 7 218021.84 222428.06 1357.20 o 4 7 7 19213.16 19917.51 597.30 o 5 7 7 18337.12 19151.47 695.60 o 6 7 7 96803.46 97980.55 915.09 o 7 7 7 21386.11 21255.71 1281.92 o 0 0 8 57865.53 57341.58 1337.27 o 1 0 8 222274.70 220986.02 1714.56 o 2 0 8 27924.20 26900.05 756.16 o 3 0 8 53951.10 53269.95 930.24 o 4 0 8 245718.05 255247.80 2728.82 o 5 0 8 231391.95 239209.48 1764.29 o 6 0 8 17436.03 20254.91 800.63 o 7 0 8 327544.66 327197.09 2313.06 o -7 1 8 26429.97 26656.13 712.30 o -6 1 8 401663.88 404206.22 3925.16 o -5 1 8 29161.20 28617.51 791.71 o -4 1 8 37866.60 40718.01 840.63 o -3 1 8 3877.34 3611.60 712.49 o -2 1 8 28551.88 29542.41 855.84 o -1 1 8 55259.75 55987.52 964.88 o 0 1 8 502142.69 543179.50 4019.82 o 1 1 8 40056.14 39267.01 780.56 o 2 1 8 39486.23 41324.81 802.23 o 3 1 8 2802.45 2787.77 645.37 o 4 1 8 25255.32 26355.08 790.55 o 5 1 8 45023.35 46325.57 890.60 o 6 1 8 429579.34 439801.91 2858.19 o 7 1 8 32597.66 33304.93 817.90 o -7 2 8 85525.09 85754.34 893.26 o -6 2 8 2206.60 2454.38 735.54 o -5 2 8 196036.30 197448.81 1311.01 o -4 2 8 42977.01 43777.38 851.22 o -3 2 8 57947.51 54681.38 861.76 o -2 2 8 101457.30 108499.41 1036.81 o -1 2 8 93060.91 95155.19 1016.48 o 0 2 8 31012.96 32298.47 753.30 o 1 2 8 94724.75 96933.78 963.47 o 2 2 8 101453.50 107482.66 1005.33 o 3 2 8 59190.37 56723.68 805.52 o 4 2 8 44119.12 45418.51 808.43 o 5 2 8 208597.20 209305.16 2198.31 o 6 2 8 5708.69 6019.86 661.40 o 7 2 8 81420.43 82080.52 898.03 o -7 3 8 106844.49 105264.89 965.66 o -6 3 8 27662.89 27928.51 855.37 o -5 3 8 50422.86 52973.38 936.64 o -4 3 8 7998.28 8056.28 715.69 o -3 3 8 165138.77 168910.08 1243.77 o -2 3 8 37134.07 36724.33 832.71 o -1 3 8 21905.05 21166.02 735.48 o 0 3 8 13666.26 15121.15 738.15 o 1 3 8 30898.01 30845.58 766.79 o 2 3 8 39602.29 40230.62 781.90 o 3 3 8 153604.05 156322.44 1610.51 o 4 3 8 11206.03 11458.37 731.99 o 5 3 8 44849.73 46482.55 833.17 o 6 3 8 26071.64 25762.79 717.73 o 7 3 8 92196.14 91552.17 948.90 o -7 4 8 2037.66 2667.68 637.32 o -6 4 8 86642.61 84909.77 1017.47 o -5 4 8 13109.13 11751.45 800.79 o -4 4 8 57597.95 60422.78 884.34 o -3 4 8 3285.12 3874.33 723.88 o -2 4 8 45732.43 45933.54 790.69 o -1 4 8 101800.39 103088.89 979.76 o 0 4 8 72311.77 69422.34 921.43 o 1 4 8 116711.16 118700.16 1014.38 o 2 4 8 57849.17 58305.27 865.13 o 3 4 8 2805.89 2983.61 684.12 o 4 4 8 50094.31 50905.93 861.50 o 5 4 8 7660.65 7100.63 722.15 o 6 4 8 80560.16 77649.61 879.69 o 7 4 8 555.86 282.95 625.35 o -7 5 8 34999.70 34736.33 851.86 o -6 5 8 67584.41 67758.05 911.82 o -5 5 8 149784.64 147134.69 1131.20 o -4 5 8 16794.67 17347.06 732.99 o -3 5 8 16635.88 16255.46 704.43 o -2 5 8 98338.09 100320.02 917.65 o -1 5 8 19279.86 20051.56 716.10 o 0 5 8 34994.23 33163.60 733.38 o 1 5 8 16960.06 17113.46 734.39 o 2 5 8 89278.99 87812.91 971.70 o 3 5 8 14650.92 13883.07 784.37 o 4 5 8 23078.64 23147.89 814.38 o 5 5 8 137179.80 132083.92 1719.14 o 6 5 8 57126.20 55462.50 813.85 o 7 5 8 28103.31 27344.32 761.85 o -7 6 8 90325.55 90486.27 1011.20 o -6 6 8 49504.83 49692.30 884.64 o -5 6 8 59078.35 58046.96 885.05 o -4 6 8 171841.50 169557.89 1248.32 o -3 6 8 95581.71 95588.52 999.54 o -2 6 8 89707.80 90968.61 993.04 o -1 6 8 44259.46 45411.14 835.67 o 0 6 8 2122.32 2511.98 732.44 o 1 6 8 44812.69 46500.00 895.10 o 2 6 8 89376.41 89718.02 981.92 o 3 6 8 120434.53 118595.84 1087.09 o 4 6 8 184198.23 181256.55 2141.38 o 5 6 8 54132.30 52170.42 772.37 o 6 6 8 37304.57 36860.68 788.52 o 7 6 8 86120.33 84034.45 844.83 o -7 7 8 195770.19 190099.11 1980.30 o -6 7 8 38597.29 38195.75 846.25 o -5 7 8 125494.55 126168.47 1273.19 o -4 7 8 73578.60 71493.55 910.57 o -3 7 8 28187.05 27618.09 790.03 o -2 7 8 6759.42 5997.18 709.60 o -1 7 8 200485.72 204115.70 1229.01 o 0 7 8 185761.06 186517.95 1483.60 o 1 7 8 191806.22 193547.69 1186.15 o 2 7 8 4329.98 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