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

Additional Descriptive Information for Depositors 

 
Enter the details about the reflection 
data in the highest resolution shell.

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

Additional Category Example for Depositors

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     _reflns_shell.d_res_high                   1.90
     _reflns_shell.d_res_low                    1.96
     _reflns_shell.percent_possible_all         93.6
     _reflns_shell.Rmerge_I_obs                 0.127
     _reflns_shell.number_unique_all            647
     _reflns_shell.ndb_redundancy               4.3

Key Data Items

Category Data Items

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