Data Category reflns_shell

General

Category name
reflns_shell
Required in PDB entries
no
Category group membership
refln_group
Used in current PDB entries
Yes, in about 77.5 % of entries

Category Relationship Diagrams

70
View full category relationship diagram including all dictionary data categories
70
View abbreviated category relationship diagram including only those categories used in current PDB entries.

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

 
    loop_
    _reflns_shell.pdbx_ordinal
    _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
    1    31.38  3.82  69.8  9024  2540  96.8   1.98
    2    3.82  3.03  26.1  7413  2364  95.1   3.85
    3    3.03  2.65  10.5  5640  2123  86.2   6.37
    4    2.65  2.41   6.4  4322  1882  76.8   8.01
    5    2.41  2.23   4.3  3247  1714  70.4   9.86
    6    2.23  2.10   3.1  1140   812  33.3  13.99