PDBx/mmCIF
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Data Category refine_ls_shell

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General

Category name
refine_ls_shell
Required in PDB entries
no
Category group membership
refine_group
Used in current PDB entries
Yes, in about 75.2 % of entries

Category Relationship Diagrams

70
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70
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Category Description 

               Data items in the REFINE_LS_SHELL category record details about
               the results of the least-squares refinement broken down into
               shells of resolution.

Category Example

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    loop_
    _refine_ls_shell.d_res_low
    _refine_ls_shell.d_res_high
    _refine_ls_shell.number_reflns_obs
    _refine_ls_shell.R_factor_obs
      8.00   4.51   1226   0.196
      4.51   3.48   1679   0.146
      3.48   2.94   2014   0.160
      2.94   2.59   2147   0.182
      2.59   2.34   2127   0.193
      2.34   2.15   2061   0.203
      2.15   2.00   1647   0.188

Key Data Items

Category Data Items

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