#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2011821.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2011821_Fobs
loop_
_publ_author_name
'van Aken, Bas B.'
'Meetsma, Auke'
'Palstra, Thomas T. M.'
_publ_section_title
;
 Hexagonal YMnO~3~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              230
_journal_page_last               232
_journal_volume                  57
_journal_year                    2001
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   6.1277
_cell_length_b                   6.1277
_cell_length_c                   11.4110
_exptl_crystal_F_000             528.00
_reflns_d_resolution_high        0.5537
_[local]_cod_data_source_file    sk1421180Ksup3.hkl
_[local]_cod_data_source_block   180K
#BEGIN Tags that were not found in dictionaries:
_shelx_title
' cp539c   P63cm                                         2000-08-16  11:18:12'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            300.90
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z+1/2'
'-y, x-y, z'
'-x, -y, z+1/2'
'-x+y, -x, z'
'y, -x+y, z+1/2'
'y, x, z'
'-x+y, y, z+1/2'
'-x, -x+y, z'
'-y, -x, z+1/2'
'x-y, -y, z'
'x, x-y, z+1/2'
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 2 -18 879.80 700.98 45.50 o
0 2 -18 775.60 561.52 46.13 o
-1 3 -18 769.27 664.32 33.76 o
0 3 -18 5802.45 5359.94 57.75 o
-2 4 -18 781.95 721.10 53.92 o
-1 4 -18 767.56 715.67 30.75 o
0 4 -18 770.23 669.87 38.30 o
-2 5 -18 581.57 519.64 33.51 o
-1 5 -18 693.36 532.72 36.14 o
-1 2 -17 1186.42 968.56 57.06 o
-1 3 -17 13.41 16.35 21.77 o
-2 4 -17 1020.11 779.03 39.72 o
-1 4 -17 11.67 41.42 24.40 o
-2 5 -17 10.23 72.01 27.66 o
-1 5 -17 895.94 790.36 30.91 o
-3 6 -17 0.26 12.82 45.52 o
-2 6 -17 33.63 -7.83 55.68 o
0 0 -16 742.21 683.34 39.86 o
0 1 -16 1167.27 1013.93 72.28 o
-1 2 -16 2385.91 1995.79 62.12 o
0 2 -16 1290.66 1122.45 33.97 o
-1 3 -16 1119.42 918.43 24.82 o
0 3 -16 640.09 502.37 27.79 o
-2 4 -16 2064.16 1680.49 46.75 o
-1 4 -16 872.11 650.66 27.78 o
0 4 -16 789.90 659.86 33.84 o
-2 5 -16 1050.51 862.24 39.71 o
-1 5 -16 1815.37 1505.08 36.54 o
0 5 -16 1024.74 849.27 41.68 o
-3 6 -16 493.09 419.09 54.83 o
-2 6 -16 705.78 674.63 38.67 o
-1 6 -16 774.19 761.36 40.46 o
0 6 -16 440.95 478.36 48.39 o
-1 2 -15 574.45 415.19 29.91 o
-1 3 -15 1.46 -4.96 29.90 o
-2 4 -15 529.95 445.68 41.20 o
-1 4 -15 1.80 -27.01 27.01 o
-2 5 -15 3.51 61.40 34.48 o
-1 5 -15 492.88 578.02 37.81 o
-3 6 -15 0.05 40.91 57.35 o
-2 6 -15 3.08 -16.99 39.07 o
-1 6 -15 6.46 16.57 38.66 o
-3 7 -15 3.02 -13.16 39.48 o
-2 7 -15 447.70 543.86 47.06 o
-1 7 -15 6.69 10.67 38.69 o
0 0 -14 3968.26 3526.62 50.96 o
0 1 -14 2883.29 2291.53 131.31 o
-1 2 -14 1059.28 790.75 30.78 o
0 2 -14 3221.38 2615.50 123.22 o
-1 3 -14 2798.50 2099.11 45.92 o
0 3 -14 3321.38 2720.77 182.51 o
-2 4 -14 886.01 862.74 60.70 o
-1 4 -14 2097.93 2029.93 92.08 o
0 4 -14 1805.13 1804.11 102.42 o
-2 5 -14 2583.53 2679.11 104.02 o
-1 5 -14 782.49 759.26 35.26 o
0 5 -14 2460.00 2564.09 51.35 o
-3 6 -14 2476.63 2566.05 236.79 o
-2 6 -14 1770.80 1731.51 39.61 o
-1 6 -14 1951.34 1908.87 66.33 o
0 6 -14 2182.83 2236.70 61.17 o
-3 7 -14 1173.41 1232.10 57.72 o
-2 7 -14 565.67 549.27 35.23 o
-1 7 -14 1184.32 1243.21 67.32 o
0 7 -14 892.48 902.02 44.04 o
-4 8 -14 569.98 583.83 54.51 o
-3 8 -14 1719.51 1728.90 42.30 o
-1 2 -13 3107.59 2165.14 45.50 o
-1 3 -13 9.29 4.54 25.38 o
-2 4 -13 2403.75 2346.02 124.66 o
-1 4 -13 7.87 -21.70 28.90 o
-2 5 -13 6.60 3.60 29.62 o
-1 5 -13 1937.39 1888.50 78.16 o
-3 6 -13 0.20 -20.98 40.84 o
-2 6 -13 19.53 30.25 27.90 o
-1 6 -13 18.49 3.52 41.49 o
-3 7 -13 4.60 14.99 29.43 o
-2 7 -13 1356.82 1350.59 48.84 o
-1 7 -13 14.48 23.61 30.12 o
-4 8 -13 1166.82 1139.17 50.56 o
-3 8 -13 3.34 -0.28 30.83 o
-2 8 -13 12.17 6.82 31.83 o
0 0 -12 8099.37 6815.18 59.86 o
0 1 -12 2809.58 2194.90 138.16 o
-1 2 -12 1389.67 1000.42 33.75 o
0 2 -12 2781.47 2194.80 167.33 o
-1 3 -12 2557.69 2438.50 68.46 o
0 3 -12 6030.20 5637.64 281.26 o
-2 4 -12 1064.77 995.83 104.01 o
-1 4 -12 2156.37 2043.40 50.77 o
0 4 -12 1972.35 1917.58 33.76 o
-2 5 -12 2112.57 2094.06 51.71 o
-1 5 -12 847.65 868.35 26.24 o
0 5 -12 1919.15 1888.38 35.32 o
-3 6 -12 3848.11 3815.25 208.29 o
-2 6 -12 1686.53 1643.81 44.68 o
-1 6 -12 1665.95 1654.13 42.90 o
0 6 -12 3206.13 3211.75 69.13 o
-3 7 -12 1314.13 1281.37 29.71 o
-2 7 -12 586.77 576.61 27.74 o
-1 7 -12 1231.78 1190.28 37.06 o
0 7 -12 1035.64 1029.82 35.26 o
-4 8 -12 491.89 515.42 50.30 o
-3 8 -12 1272.12 1212.11 43.14 o
-2 8 -12 1196.02 1164.94 31.89 o
-1 8 -12 424.56 448.07 30.62 o
-1 2 -11 3088.93 2269.53 43.06 o
-1 3 -11 27.78 28.41 22.41 o
-2 4 -11 2283.67 2188.45 122.29 o
-1 4 -11 21.84 31.05 19.33 o
-2 5 -11 17.28 19.01 20.02 o
-1 5 -11 1796.16 1739.40 44.49 o
-3 6 -11 0.43 3.27 38.64 o
-2 6 -11 52.95 10.10 23.56 o
-1 6 -11 48.85 7.66 21.01 o
-3 7 -11 10.73 -1.87 22.32 o
-2 7 -11 1222.43 1295.88 26.53 o
-1 7 -11 35.62 47.78 23.38 o
-4 8 -11 1068.81 1202.28 40.06 o
-3 8 -11 7.56 -19.45 34.77 o
-2 8 -11 28.88 -25.33 25.33 o
-1 8 -11 924.78 968.90 29.00 o
-4 9 -11 54.07 95.16 27.68 o
-3 9 -11 1.90 -30.24 30.24 o
0 0 -10 1163.78 958.12 32.53 o
0 1 -10 5898.50 3995.08 316.76 o
-1 2 -10 3342.62 3171.81 174.90 o
0 2 -10 4611.91 4232.79 301.82 o
-1 3 -10 4600.82 4106.06 75.32 o
0 3 -10 903.89 921.77 42.47 o
-2 4 -10 2721.43 2555.50 128.17 o
-1 4 -10 4506.46 4147.86 27.55 o
0 4 -10 4441.98 4177.34 97.15 o
-2 5 -10 3032.05 2918.59 39.34 o
-1 5 -10 2258.75 2167.93 26.43 o
0 5 -10 2513.21 2473.11 63.39 o
-3 6 -10 631.12 623.25 39.73 o
-2 6 -10 3078.38 2982.95 55.53 o
-1 6 -10 2586.02 2572.66 50.76 o
0 6 -10 554.85 630.52 43.83 o
-3 7 -10 2995.29 2946.19 36.35 o
-2 7 -10 1692.54 1636.04 25.27 o
-1 7 -10 2553.56 2579.03 44.02 o
0 7 -10 2510.11 2503.97 82.29 o
-4 8 -10 1434.03 1402.99 38.10 o
-3 8 -10 1555.89 1574.86 34.08 o
-2 8 -10 1585.46 1626.07 40.16 o
-1 8 -10 1281.09 1256.41 27.74 o
0 8 -10 1163.98 1232.36 33.03 o
-4 9 -10 1650.03 1581.60 30.07 o
-3 9 -10 424.48 481.41 29.43 o
-2 9 -10 1633.68 1642.57 31.23 o
-1 2 -9 1220.81 1104.25 36.84 o
-1 3 -9 1.65 20.94 17.29 o
-2 4 -9 1029.65 918.77 24.24 o
-1 4 -9 2.68 9.32 13.41 o
-2 5 -9 5.84 9.99 14.47 o
-1 5 -9 870.67 846.84 17.19 o
-3 6 -9 0.05 3.79 22.78 o
-2 6 -9 2.11 11.10 18.55 o
-1 6 -9 8.07 4.58 16.41 o
-3 7 -9 4.53 -18.32 18.32 o
-2 7 -9 685.40 697.58 23.83 o
-1 7 -9 8.82 4.99 22.99 o
-4 8 -9 614.07 605.36 32.01 o
-3 8 -9 7.43 9.90 20.29 o
-2 8 -9 19.33 -1.77 25.17 o
-1 8 -9 572.51 579.01 27.08 o
-4 9 -9 3.83 12.47 25.45 o
-3 9 -9 0.18 28.05 23.03 o
-2 9 -9 4.45 -2.06 23.93 o
-1 9 -9 19.68 18.01 25.17 o
0 0 -8 20988.01 15907.95 81.59 o
0 1 -8 3915.43 3558.63 284.06 o
-1 2 -8 1775.35 1652.68 31.19 o
0 2 -8 2637.71 2479.77 120.24 o
-1 3 -8 2825.13 2647.70 19.64 o
0 3 -8 14797.13 14396.29 354.07 o
-2 4 -8 1393.11 1401.38 76.76 o
-1 4 -8 3101.42 2941.21 34.54 o
0 4 -8 3210.42 3121.74 46.56 o
-2 5 -8 1715.65 1698.86 27.17 o
-1 5 -8 1141.17 1174.21 16.24 o
0 5 -8 1396.99 1374.81 33.41 o
-3 6 -8 9109.49 8990.04 109.26 o
-2 6 -8 1978.17 1933.30 19.84 o
-1 6 -8 1530.59 1534.51 19.58 o
0 6 -8 7564.88 7784.66 128.32 o
-3 7 -8 2179.35 2170.91 22.75 o
-2 7 -8 857.64 875.67 22.92 o
-1 7 -8 1753.97 1738.20 55.01 o
0 7 -8 1869.16 1859.79 27.97 o
-4 8 -8 677.20 670.66 29.15 o
-3 8 -8 860.59 824.89 21.46 o
-2 8 -8 879.43 919.47 24.66 o
-1 8 -8 594.63 556.47 22.43 o
0 8 -8 642.25 650.36 29.37 o
-4 9 -8 974.96 969.36 24.84 o
-3 9 -8 4840.35 4828.51 34.89 o
-2 9 -8 1026.46 1095.73 41.33 o
-1 9 -8 678.02 724.00 26.06 o
-5 10 -8 493.03 447.38 37.17 o
-4 10 -8 1116.43 1078.28 28.29 o
-1 2 -7 8348.37 6738.78 37.86 o
-1 3 -7 37.21 45.76 11.16 o
-2 4 -7 5052.70 4622.85 112.36 o
-1 4 -7 24.95 8.06 11.89 o
-2 5 -7 17.44 16.91 11.27 o
-1 5 -7 3463.80 3313.63 49.85 o
-3 6 -7 0.43 28.93 21.69 o
-2 6 -7 45.76 72.71 16.98 o
-1 6 -7 41.07 55.92 18.76 o
-3 7 -7 9.18 12.33 15.09 o
-2 7 -7 2006.69 2019.08 23.94 o
-1 7 -7 28.42 20.25 16.52 o
-4 8 -7 1641.04 1578.97 31.60 o
-3 8 -7 5.94 16.25 27.93 o
-2 8 -7 21.98 32.79 18.23 o
-1 8 -7 1369.68 1403.44 25.81 o
-4 9 -7 37.68 47.40 20.59 o
-3 9 -7 1.60 28.96 20.77 o
-2 9 -7 32.14 26.28 30.60 o
-1 9 -7 29.59 23.99 22.42 o
-5 10 -7 999.86 1018.95 37.17 o
-4 10 -7 13.28 14.09 23.59 o
-3 10 -7 3.44 28.88 23.82 o
0 0 -6 4680.24 3227.83 38.59 o
0 1 -6 5916.64 5220.62 417.10 o
-1 2 -6 21632.64 19633.19 872.07 o
0 2 -6 4788.48 4538.99 184.48 o
-1 3 -6 4229.11 4026.14 42.59 o
0 3 -6 1618.48 1485.36 42.52 o
-2 4 -6 14320.13 14136.30 238.93 o
-1 4 -6 3473.98 3466.52 46.22 o
0 4 -6 3205.79 3251.31 71.13 o
-2 5 -6 2701.45 2646.68 34.31 o
-1 5 -6 10568.18 10803.23 176.04 o
0 5 -6 2297.22 2353.05 75.57 o
-3 6 -6 449.63 480.09 19.77 o
-2 6 -6 2246.71 2228.24 39.37 o
-1 6 -6 2037.75 2049.97 29.47 o
0 6 -6 330.49 328.36 17.09 o
-3 7 -6 1931.72 1979.56 22.43 o
-2 7 -6 6781.85 6745.28 44.13 o
-1 7 -6 1682.11 1725.49 21.20 o
0 7 -6 1550.01 1652.87 43.15 o
-4 8 -6 5532.25 5568.82 172.54 o
-3 8 -6 1388.77 1358.96 33.08 o
-2 8 -6 1313.93 1306.31 46.38 o
-1 8 -6 4673.66 4680.59 41.15 o
0 8 -6 1069.90 1095.09 32.19 o
-4 9 -6 1157.73 1154.01 22.97 o
-3 9 -6 223.78 249.45 20.52 o
-2 9 -6 1071.35 1112.63 23.52 o
-1 9 -6 921.48 869.96 24.92 o
0 9 -6 198.00 247.39 27.46 o
-5 10 -6 3474.27 3295.07 44.40 o
-4 10 -6 961.06 910.16 25.24 o
-3 10 -6 934.78 970.46 25.80 o
-2 10 -6 2979.54 2850.96 45.46 o
-1 2 -5 9721.71 8527.63 98.00 o
-1 3 -5 81.43 60.81 7.54 o
-2 4 -5 5464.17 5180.22 87.55 o
-1 4 -5 49.17 52.34 8.62 o
-2 5 -5 31.75 26.13 14.04 o
-1 5 -5 3594.42 3527.57 75.04 o
-3 6 -5 0.68 18.07 15.61 o
-2 6 -5 80.56 85.18 11.38 o
-1 6 -5 70.59 69.43 11.80 o
-3 7 -5 14.73 1.73 13.12 o
-2 7 -5 1979.97 2047.71 28.81 o
-1 7 -5 46.07 47.22 14.35 o
-4 8 -5 1614.21 1558.64 38.46 o
-3 8 -5 9.17 -16.13 16.13 o
-2 8 -5 34.51 17.29 19.58 o
-1 8 -5 1335.47 1324.17 21.22 o
-4 9 -5 62.46 79.13 18.34 o
-3 9 -5 2.29 25.65 18.54 o
-2 9 -5 52.60 61.27 24.76 o
-1 9 -5 47.25 46.66 20.80 o
-5 10 -5 962.50 989.20 34.62 o
-4 10 -5 19.95 6.02 21.50 o
-3 10 -5 5.14 11.15 22.05 o
-2 10 -5 847.53 881.84 25.87 o
0 0 -4 61984.04 43501.12 143.72 o
0 1 -4 1470.50 1312.90 78.15 o
-1 2 -4 14438.11 14762.16 68.28 o
0 2 -4 2311.30 2234.35 36.35 o
-1 3 -4 1546.69 1550.56 15.00 o
0 3 -4 36743.73 39920.52 950.14 o
-2 4 -4 8456.92 8746.88 264.77 o
-1 4 -4 781.11 844.16 10.94 o
0 4 -4 590.10 614.62 11.58 o
-2 5 -4 1468.68 1492.09 21.55 o
-1 5 -4 6120.50 6435.48 94.75 o
0 5 -4 1411.45 1436.70 38.35 o
-3 6 -4 19898.59 20409.96 313.66 o
-2 6 -4 711.46 742.27 15.03 o
-1 6 -4 911.19 915.04 23.15 o
0 6 -4 16062.57 16578.41 376.80 o
-3 7 -4 380.73 392.80 13.43 o
-2 7 -4 3991.66 4013.68 48.02 o
-1 7 -4 399.17 411.75 14.72 o
0 7 -4 291.71 338.24 27.14 o
-4 8 -4 3340.40 3384.73 71.77 o
-3 8 -4 883.72 876.79 17.86 o
-2 8 -4 744.18 727.63 17.87 o
-1 8 -4 2809.07 2806.27 24.18 o
0 8 -4 715.20 702.30 34.07 o
-4 9 -4 435.98 437.32 19.15 o
-3 9 -4 9779.52 9783.98 59.65 o
-2 9 -4 307.18 330.63 25.93 o
-1 9 -4 441.74 426.81 31.22 o
0 9 -4 7482.60 7367.08 181.27 o
-5 10 -4 2018.15 1955.84 37.28 o
-4 10 -4 194.23 199.10 24.62 o
-3 10 -4 183.65 157.48 29.09 o
-2 10 -4 1726.12 1642.57 31.32 o
-1 2 -3 1702.67 1328.55 28.99 o
-1 3 -3 1.31 -5.37 5.37 o
-2 4 -3 1624.38 1594.25 49.60 o
-1 4 -3 5.06 11.83 6.90 o
-2 5 -3 10.05 2.56 9.23 o
-1 5 -3 1339.47 1323.87 18.42 o
-3 6 -3 0.04 14.88 13.68 o
-2 6 -3 0.76 2.86 9.90 o
-1 6 -3 10.15 3.52 10.64 o
-3 7 -3 6.32 -4.79 11.96 o
-2 7 -3 939.03 931.09 18.70 o
-1 7 -3 11.04 21.98 13.81 o
-4 8 -3 802.63 803.27 24.27 o
-3 8 -3 9.73 -19.03 19.03 o
-2 8 -3 24.61 30.86 15.18 o
-1 8 -3 720.88 782.30 18.61 o
-4 9 -3 2.94 1.34 17.35 o
-3 9 -3 0.13 36.81 25.47 o
-2 9 -3 4.00 17.70 18.43 o
-1 9 -3 23.20 54.55 19.57 o
-5 10 -3 622.00 670.56 62.36 o
-4 10 -3 15.06 57.21 20.20 o
-3 10 -3 4.53 -12.52 20.93 o
-2 10 -3 573.94 589.57 24.30 o
0 0 -2 2645.04 2157.06 30.20 o
0 1 -2 957.47 1002.85 22.04 o
-1 2 -2 28167.59 30906.82 454.68 o
0 2 -2 1807.43 1913.35 30.19 o
-1 3 -2 978.85 1046.64 12.70 o
0 3 -2 1699.22 2111.67 21.96 o
-2 4 -2 18886.25 20064.52 233.58 o
-1 4 -2 300.71 323.93 7.34 o
0 4 -2 165.77 199.07 8.96 o
-2 5 -2 901.61 933.57 10.35 o
-1 5 -2 14254.49 15288.05 204.36 o
0 5 -2 858.49 885.18 19.23 o
-3 6 -2 1336.52 1468.06 48.07 o
-2 6 -2 308.93 301.01 10.71 o
-1 6 -2 475.70 482.28 11.58 o
0 6 -2 1211.14 1316.34 43.07 o
-3 7 -2 89.97 106.45 11.77 o
-2 7 -2 9343.36 9585.99 76.39 o
-1 7 -2 124.99 114.05 13.16 o
0 7 -2 57.73 61.66 16.67 o
-4 8 -2 7886.86 7781.43 181.74 o
-3 8 -2 502.22 505.83 16.07 o
-2 8 -2 410.41 391.94 21.18 o
-1 8 -2 6671.29 6793.70 99.30 o
0 8 -2 406.83 398.01 30.44 o
-4 9 -2 208.83 189.80 20.19 o
-3 9 -2 777.30 801.97 19.68 o
-2 9 -2 124.14 142.14 21.17 o
-1 9 -2 237.53 269.82 19.90 o
0 9 -2 555.02 546.74 25.93 o
-5 10 -2 4885.78 4839.53 46.99 o
-4 10 -2 43.67 25.97 20.25 o
-3 10 -2 33.85 37.40 20.62 o
-2 10 -2 4255.37 4227.75 43.70 o
-1 10 -2 54.55 26.46 22.75 o
-5 11 -2 250.15 234.95 23.85 o
-1 2 -1 17143.35 18464.21 198.40 o
-1 3 -1 118.53 122.48 4.94 o
-2 4 -1 8046.07 8014.57 73.14 o
-1 4 -1 62.45 51.66 6.35 o
-2 5 -1 36.62 40.55 8.07 o
-1 5 -1 4834.73 4824.09 88.71 o
-3 6 -1 0.75 46.60 24.32 o
-2 6 -1 83.53 71.87 9.60 o
-1 6 -1 71.63 85.57 10.10 o
-3 7 -1 14.71 7.40 11.41 o
-2 7 -1 2423.86 2421.49 35.53 o
-1 7 -1 44.38 46.65 12.68 o
-4 8 -1 1911.32 1856.86 26.69 o
-3 8 -1 8.70 -2.74 16.61 o
-2 8 -1 32.30 45.25 15.82 o
-1 8 -1 1550.32 1568.09 29.88 o
-4 9 -1 56.42 38.12 16.92 o
-3 9 -1 2.20 13.55 17.11 o
-2 9 -1 47.38 27.52 18.07 o
-1 9 -1 42.32 47.91 19.38 o
-5 10 -1 1093.02 1093.50 32.37 o
-4 10 -1 18.34 62.82 19.84 o
-3 10 -1 4.72 -20.53 20.53 o
-2 10 -1 951.15 937.08 24.26 o
-1 10 -1 26.76 26.83 32.15 o
-5 11 -1 11.77 -13.04 30.46 o
0 1 0 0.55 -1.89 2.50 o
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