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 

               Data items in the REFLNS category record details about the
               reflection data used to determine the ATOM_SITE data items.

               The REFLN data items refer to individual reflections and must
               be included in looped lists.

               The REFLNS data items specify the parameters that apply to all
               reflections. The REFLNS data items are not looped.

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

Key Data Items

Category Data Items

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