PDBx/mmCIF
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Data Category reflns

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General

Category name
reflns
Required in PDB entries
No
Category group membership
refln_group
Used in current PDB entries
Yes, in about 82.9 % of entries

Category Relationship Diagrams

70
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70
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Category Description

Additional Descriptive Information for Depositors 

 Enter the details about the crystallographically unique set of 
measured reflection data used to determine the coordinates of this 
deposition. 


Note that the collection characteristics entered here may be different 
from the values which are to be entered under 'Refinement Statistics'.

Category Examples

2

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Category Example1

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    _reflns.entry_id                       '5HVP'
    _reflns.data_reduction_method
    ; Xengen program scalei. Anomalous pairs were merged. Scaling proceeded
      in several passes, beginning with 1-parameter fit and ending with
      3-parameter fit.
    ;
    _reflns.data_reduction_details
    ; Merging and scaling based on only those reflections with I > \s(I).
    ;

    _reflns.d_resolution_high              2.00
    _reflns.d_resolution_low               8.00

    _reflns.limit_h_max                    22
    _reflns.limit_h_min                    0
    _reflns.limit_k_max                    46
    _reflns.limit_k_min                    0
    _reflns.limit_l_max                    57
    _reflns.limit_l_min                    0

    _reflns.number_obs                     7228
    _reflns.observed_criterion             '> 1 \s(I)'
    _reflns.details                        none

Category Example2

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    _reflns.limit_h_min                0
    _reflns.limit_h_max                6
    _reflns.limit_k_min                0
    _reflns.limit_k_max                17
    _reflns.limit_l_min                0
    _reflns.limit_l_max                22
    _reflns.number_all                 1592
    _reflns.number_obs                 1408
    _reflns.observed_criterion         F_>_6.0_\s(F)
    _reflns.d_resolution_high          0.8733
    _reflns.d_resolution_low           11.9202

Additional Category Example for Depositors

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    _reflns.d_resolution_high              1.90
    _reflns.d_resolution_low              30.00
    _reflns.number_obs                     2937
    _reflns.observed_criterion_sigma_I     2.00

Key Data Items

Category Data Items

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