#------------------------------------------------------------------------------
#$Date: 2016-04-03 01:15:43 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181022 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/02/2210202.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_2210202_Fobs
loop_
_publ_author_name
'Drebushchak, Tatiana N.'
'Sowa, Heidrun'
'Seryotkin, Yuryi V.'
'Boldyreva, Elena V.'
'Ahsbahs, Hans'
_publ_section_title
;
 <small>L</small>-Serine III at 8.0 GPa
;
_journal_coeditor_code           CV2104
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4052
_journal_page_last               o4054
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.6117
_cell_length_b                   6.5563
_cell_length_c                   9.5321
_exptl_crystal_F_000             224.00
_reflns_d_resolution_high        1.0401
_cod_data_source_file            cv2104Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' ls_80 in P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            60.73
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
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 0 331.46 388.11 81.38 o
4 0 0 103.85 137.93 1099.31 o
1 1 0 180.10 254.80 144.55 o
2 1 0 3687.60 4000.49 465.70 o
3 1 0 0.49 27.21 517.11 o
4 1 0 0.00 0.00 37.29 o
5 1 0 90.62 15.98 70.21 o
3 2 0 685.48 664.42 980.35 o
4 2 0 6.69 94.54 168.32 o
1 0 1 268.36 288.73 109.14 o
2 0 1 20.00 31.15 19.97 o
3 0 1 90.32 170.69 210.86 o
4 0 1 972.71 924.23 91.01 o
5 0 1 167.99 168.85 231.44 o
-5 1 1 59.98 75.44 69.54 o
-4 1 1 6.87 0.00 31.97 o
-3 1 1 220.96 207.41 263.06 o
-2 1 1 1525.11 1537.34 115.64 o
-1 1 1 397.86 401.86 79.90 o
0 1 1 3.60 19.84 119.60 o
1 1 1 397.86 385.02 286.05 o
2 1 1 1525.11 1510.21 46.39 o
3 1 1 220.96 225.83 28.46 o
4 1 1 6.87 2.01 46.22 o
5 1 1 59.98 105.97 67.22 o
-5 2 1 201.44 164.59 303.10 o
-4 2 1 147.12 205.40 181.21 o
-3 2 1 13.79 67.03 4817.49 o
-2 2 1 464.96 529.53 87.89 o
2 2 1 464.96 591.90 92.43 o
3 2 1 13.79 17.46 584.61 o
4 2 1 147.12 209.44 342.20 o
5 2 1 201.44 195.70 93.01 o
-4 3 1 149.46 39.73 1138.69 o
4 3 1 149.46 70.68 253.84 o
0 0 2 1463.42 1354.70 201.26 o
1 0 2 313.34 326.48 75.23 o
2 0 2 5.33 17.70 21.51 o
3 0 2 69.82 60.94 96.61 o
4 0 2 18.68 47.06 246.72 o
5 0 2 140.33 184.09 90.54 o
-5 1 2 173.95 190.81 97.41 o
-4 1 2 15.75 67.37 378.55 o
-3 1 2 270.59 265.59 70.39 o
-2 1 2 170.71 156.99 82.05 o
-1 1 2 233.85 274.28 83.89 o
0 1 2 75.69 63.08 161.51 o
1 1 2 233.85 236.30 23.43 o
2 1 2 170.71 181.75 119.14 o
3 1 2 270.59 251.71 68.88 o
4 1 2 15.75 81.85 3241.16 o
5 1 2 173.95 240.39 71.86 o
-4 2 2 64.55 118.34 509.36 o
-3 2 2 0.10 65.29 3761.54 o
-2 2 2 165.04 229.77 460.54 o
-1 2 2 250.07 290.45 147.33 o
0 2 2 1137.67 1019.20 233.15 o
1 2 2 250.07 300.26 77.02 o
2 2 2 165.04 366.57 236.33 o
3 2 2 0.10 21.06 2175.38 o
-4 3 2 22.78 72.02 1327.52 o
-3 3 2 323.94 257.42 162.03 o
-2 3 2 114.86 129.09 28.73 o
3 3 2 323.94 260.83 79.70 o
4 3 2 22.78 74.39 610.16 o
1 0 3 116.18 122.15 103.55 o
2 0 3 30.91 28.15 221.89 o
3 0 3 726.45 726.73 51.19 o
4 0 3 351.63 422.43 169.84 o
5 0 3 541.55 370.16 221.89 o
-5 1 3 129.06 137.08 92.43 o
-4 1 3 24.14 63.76 1917.50 o
-3 1 3 77.56 80.05 402.61 o
-2 1 3 783.96 838.01 1417.52 o
-1 1 3 255.15 278.27 74.92 o
0 1 3 319.62 302.03 36.23 o
1 1 3 255.15 301.64 319.76 o
2 1 3 783.96 813.50 2975.17 o
3 1 3 77.56 106.82 191.20 o
4 1 3 24.14 57.19 2714.33 o
5 1 3 129.06 190.32 135.21 o
-3 2 3 17.35 79.58 2280.29 o
-2 2 3 99.62 98.60 29.94 o
-1 2 3 13.38 0.00 37.44 o
0 2 3 1563.91 1810.43 1309.20 o
1 2 3 13.38 36.83 49.83 o
2 2 3 99.62 149.19 454.46 o
3 2 3 17.35 26.51 1652.67 o
4 2 3 290.08 229.29 410.02 o
-3 3 3 43.99 54.55 298.97 o
-2 3 3 267.50 255.74 175.79 o
-1 3 3 73.94 78.41 28.04 o
0 3 3 87.05 50.72 182.67 o
1 3 3 73.94 101.90 505.20 o
2 3 3 267.50 250.46 507.84 o
4 3 3 61.03 94.07 4829.71 o
0 0 4 166.95 185.98 163.92 o
1 0 4 2629.61 2598.29 133.59 o
2 0 4 72.64 125.20 154.53 o
3 0 4 5.97 0.47 59.24 o
4 0 4 73.40 35.07 473.77 o
-3 1 4 529.22 502.90 160.10 o
-2 1 4 485.51 473.46 41.60 o
-1 1 4 718.57 754.74 593.46 o
0 1 4 281.46 274.21 29.52 o
1 1 4 718.57 720.79 422.62 o
2 1 4 485.51 549.31 184.54 o
3 1 4 529.22 533.57 40.81 o
-3 2 4 81.98 73.12 351.98 o
-2 2 4 245.30 271.73 188.41 o
-1 2 4 267.39 280.06 263.40 o
0 2 4 89.53 33.64 1817.58 o
1 2 4 267.39 267.82 82.63 o
2 2 4 245.30 251.54 247.77 o
4 2 4 230.02 159.18 295.58 o
-4 3 4 94.37 125.76 39.41 o
-3 3 4 60.36 112.82 399.55 o
-2 3 4 133.45 159.51 512.13 o
-1 3 4 6.87 26.03 4817.60 o
0 3 4 37.33 20.37 55.87 o
1 3 4 6.87 0.00 56.71 o
3 3 4 60.36 138.24 4828.65 o
4 3 4 94.37 186.60 249.50 o
-3 4 4 35.85 90.42 36.35 o
-2 4 4 19.21 30.70 2197.54 o
-1 4 4 171.92 185.31 82.99 o
0 4 4 13.45 79.81 1536.59 o
1 4 4 171.92 185.05 200.47 o
1 0 5 86.72 58.09 132.37 o
2 0 5 1.60 2.11 31.01 o
3 0 5 64.79 46.09 33.53 o
4 0 5 47.43 39.08 73.76 o
-4 1 5 99.63 108.62 90.02 o
-3 1 5 242.57 250.46 211.72 o
-2 1 5 27.28 25.82 588.79 o
-1 1 5 162.77 180.14 276.42 o
0 1 5 5.40 0.20 53.16 o
1 1 5 162.77 202.13 30.63 o
2 1 5 27.28 47.88 1118.96 o
3 1 5 242.57 176.93 128.44 o
4 1 5 99.63 130.21 301.28 o
-4 2 5 18.64 93.08 1477.33 o
-3 2 5 37.38 63.12 3771.65 o
-2 2 5 47.52 51.69 599.05 o
-1 2 5 130.57 140.09 32.96 o
0 2 5 18.72 96.43 294.87 o
1 2 5 130.57 195.12 297.81 o
2 2 5 47.52 57.00 72.24 o
3 2 5 37.38 54.86 355.79 o
4 2 5 18.64 15.40 3777.89 o
-3 3 5 277.09 285.96 217.05 o
-2 3 5 61.82 24.54 588.79 o
-1 3 5 185.84 115.65 89.52 o
0 3 5 28.59 8.06 2293.78 o
1 3 5 185.84 204.49 75.88 o
2 3 5 61.82 24.50 2201.39 o
3 3 5 277.09 327.96 360.82 o
-2 4 5 12.35 22.88 52.30 o
-1 4 5 250.55 162.74 300.77 o
0 4 5 218.62 212.62 35.25 o
1 4 5 250.55 202.45 87.06 o
2 4 5 12.35 0.00 74.65 o
2 0 6 126.64 135.62 33.04 o
3 0 6 4.59 7.44 66.61 o
4 0 6 345.54 289.29 225.09 o
-3 1 6 155.27 156.60 39.57 o
-2 1 6 6.35 54.33 4297.00 o
-1 1 6 48.20 53.85 85.98 o
1 1 6 48.20 73.23 2289.34 o
2 1 6 6.35 29.84 4827.28 o
3 1 6 155.27 142.65 344.41 o
-3 2 6 15.42 106.39 1419.88 o
-2 2 6 14.63 2.30 67.60 o
-1 2 6 146.03 179.88 143.53 o
0 2 6 0.23 34.68 69.48 o
1 2 6 146.03 183.42 513.13 o
2 2 6 14.63 18.73 3770.59 o
-3 3 6 57.99 47.46 2716.29 o
-1 3 6 311.56 296.06 37.99 o
0 3 6 1.83 0.00 68.25 o
1 3 6 311.56 253.77 82.94 o
2 3 6 142.11 324.60 308.29 o
3 3 6 57.99 97.19 39.20 o
-2 4 6 57.45 36.32 1890.90 o
-1 4 6 175.77 154.62 88.78 o
0 4 6 112.04 30.21 76.79 o
1 4 6 175.77 193.32 90.84 o
2 4 6 57.45 61.69 3773.61 o
-3 1 7 496.21 508.87 39.02 o
-2 1 7 267.66 279.82 326.10 o
-1 1 7 152.48 144.49 84.90 o
0 1 7 52.12 62.62 2585.96 o
1 1 7 152.48 135.14 300.05 o
3 1 7 496.21 423.57 127.03 o
-3 2 7 69.69 95.49 2084.03 o
-2 2 7 36.79 0.00 57.72 o
0 2 7 2.49 39.55 585.19 o
1 2 7 237.86 201.09 461.02 o
2 2 7 36.79 0.00 81.90 o
3 2 7 69.69 113.11 4304.67 o
-2 3 7 22.04 58.62 2188.39 o
-1 3 7 16.09 94.17 4307.64 o
0 3 7 132.88 70.52 85.34 o
1 3 7 16.09 61.62 1953.17 o
2 3 7 22.04 25.18 4306.05 o
0 4 7 2.91 0.00 70.58 o
-2 1 8 128.79 69.95 594.04 o
-1 1 8 565.58 607.61 449.68 o
0 1 8 6.46 95.48 1075.02 o
1 1 8 565.58 583.39 44.49 o
2 1 8 128.79 117.11 74.09 o
-2 2 8 6.18 0.00 73.38 o
-1 2 8 84.78 112.34 587.79 o
0 2 8 4.63 0.24 72.04 o
1 2 8 84.78 0.00 73.33 o
2 2 8 6.18 0.00 73.86 o
0 3 8 40.65 182.56 248.83 o