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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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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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