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dials-example-integrated-20170718.cif
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dials-example-integrated-20170718.cif
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data_dials
_pdbx_diffrn_data_section.id dials
_pdbx_diffrn_data_section.type_scattering x-ray
_pdbx_diffrn_data_section.type_merged false
_pdbx_diffrn_data_section.type_scaled false
loop_
_pdbx_diffrn_unmerged_cell.ordinal
_pdbx_diffrn_unmerged_cell.crystal_id
_pdbx_diffrn_unmerged_cell.wavelength
_pdbx_diffrn_unmerged_cell.cell_length_a
_pdbx_diffrn_unmerged_cell.cell_length_b
_pdbx_diffrn_unmerged_cell.cell_length_c
_pdbx_diffrn_unmerged_cell.cell_angle_alpha
_pdbx_diffrn_unmerged_cell.cell_angle_beta
_pdbx_diffrn_unmerged_cell.cell_angle_gamma
_pdbx_diffrn_unmerged_cell.Bravais_lattice
1 1 1.2821511 56.3113473951 99.696744256 121.348763616 90.0 90.0 90.0 oC
loop_
_pdbx_diffrn_scan.scan_id
_pdbx_diffrn_scan.crystal_id
_pdbx_diffrn_scan.image_id_begin
_pdbx_diffrn_scan.image_id_end
_pdbx_diffrn_scan.scan_angle_begin
_pdbx_diffrn_scan.scan_angle_end
1 1 1 30 -100.0 -70.0
loop_
_pdbx_diffrn_unmerged_refln.reflection_id
_pdbx_diffrn_unmerged_refln.scan_id
_pdbx_diffrn_unmerged_refln.image_id_begin
_pdbx_diffrn_unmerged_refln.image_id_end
_pdbx_diffrn_unmerged_refln.index_h
_pdbx_diffrn_unmerged_refln.index_k
_pdbx_diffrn_unmerged_refln.index_l
_pdbx_diffrn_unmerged_refln.intensity_meas
_pdbx_diffrn_unmerged_refln.intensity_sigma
_pdbx_diffrn_unmerged_refln.intensity_sum
_pdbx_diffrn_unmerged_refln.intensity_sum_sigma
_pdbx_diffrn_unmerged_refln.intensity_profile
_pdbx_diffrn_unmerged_refln.intensity_profile_sigma
_pdbx_diffrn_unmerged_refln.scan_angle_reflection
_pdbx_diffrn_unmerged_refln.partiality
_pdbx_diffrn_unmerged_refln.scale_value
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2 1 27 30 -11 7 -16 -478.8671875 53253.3984375 -478.8671875 53253.3984375 39.0340024103 12661.1864645 -71.4409016822 0.999999728577 1.0
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4 1 26 29 -11 9 -13 484.4296875 43598.5234375 484.4296875 43598.5234375 168.786781837 11135.8532051 -72.3550934028 0.999998561403 1.0
5 1 27 30 -11 9 -12 -136.2421875 42079.9570312 -136.2421875 42079.9570312 92.8255499101 10790.2925708 -71.4348179418 0.999999558873 1.0
6 1 28 30 -11 9 -11 10364.3203125 37978.4335938 10364.3203125 37978.4335938 8796.14776192 17207.5916208 -70.4982068375 0.955772008002 1.0
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9 1 25 28 -11 11 -10 1890.10546875 42884.0117188 1890.10546875 42884.0117188 1361.80781957 12796.3897492 -73.6574431675 0.999996667225 1.0
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34 1 27 30 -11 15 5 145235.484375 189729.515625 145235.484375 189729.515625 128050.786275 142361.492098 -71.100394528 0.995717314974 1.0
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45 1 26 29 -10 8 -13 600.35546875 40359.2617188 600.35546875 40359.2617188 545.883881686 11529.9523141 -72.3261213611 0.999997923329 1.0
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49 1 21 23 -10 10 -15 1009.08203125 30256.2207031 1009.08203125 30256.2207031 529.755805299 12554.7729273 -78.0122788625 0.999479352913 1.0
50 1 21 24 -10 10 -14 8294.25 51883.6210938 8294.25 51883.6210938 6633.21665547 17995.9365744 -77.1728986705 0.999975502881 1.0
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55 1 26 29 -10 10 -9 473.89453125 40534.0820312 473.89453125 40534.0820312 546.873065586 11108.1472226 -72.7333740478 0.999989181249 1.0
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57 1 28 30 -10 10 -7 4746.1015625 32592.9980469 4746.1015625 32592.9980469 3207.01864337 14327.0399958 -70.8281262941 0.996648708415 1.0
58 1 18 21 -10 12 -13 756.46875 41463.6914062 756.46875 41463.6914062 628.70973686 12385.5278462 -80.1741719559 0.999969884987 1.0
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60 1 20 23 -10 12 -11 234.5859375 39961.7265625 234.5859375 39961.7265625 397.478628687 11440.2295257 -78.6530088354 0.99999713416 1.0
61 1 21 24 -10 12 -10 58028.1132812 98099.484375 58028.1132812 98099.484375 52019.7726614 63668.8311704 -77.8734897891 0.999915254627 1.0
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948 1 8 11 -5 5 -23 375.001953125 36185.1835938 375.001953125 36185.1835938 417.69964504 10569.2115454 -90.6700757118 0.999991518153 1.0
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952 1 11 14 -5 5 -19 10188.2480469 45744.3164062 10188.2480469 45744.3164062 8259.42633804 18396.4714658 -87.1303633507 0.999914987438 1.0
953 1 12 15 -5 5 -18 311.3671875 34517.9960938 311.3671875 34517.9960938 348.525981257 10300.660746 -86.1791180192 0.999960858067 1.0
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955 1 14 17 -5 5 -16 91.689453125 37971.9414062 91.689453125 37971.9414062 298.748488815 10550.9233338 -84.1797128559 0.999969114802 1.0
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