PDBx/mmCIF
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Data Category reflns_shell

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General

Category name
reflns_shell
Required in PDB entries
no
Category group membership
refln_group
Used in current PDB entries
Yes, in about 76.8 % of entries

Category Relationship Diagrams

70
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70
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Category Description 

               Data items in the REFLNS_SHELL category record details about
               the reflection data used to determine the ATOM_SITE data items
               broken down into shells of resolution.

Category Example

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    loop_
    _reflns_shell.d_res_high
    _reflns_shell.d_res_low
    _reflns_shell.meanI_over_sigI_obs
    _reflns_shell.number_measured_obs
    _reflns_shell.number_unique_obs
    _reflns_shell.percent_possible_obs
    _reflns_shell.Rmerge_F_obs
      31.38  3.82  69.8  9024  2540  96.8   1.98
       3.82  3.03  26.1  7413  2364  95.1   3.85
       3.03  2.65  10.5  5640  2123  86.2   6.37
       2.65  2.41   6.4  4322  1882  76.8   8.01
       2.41  2.23   4.3  3247  1714  70.4   9.86
       2.23  2.10   3.1  1140   812  33.3  13.99

Key Data Items

Category Data Items

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