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 68.3 % 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.pdbx_refine_id
    _refine_ls_shell.d_res_low
    _refine_ls_shell.d_res_high
    _refine_ls_shell.number_reflns_obs
    _refine_ls_shell.R_factor_obs 
   'X-ray'   8.00   4.51   1226   0.196
   'X-ray'   4.51   3.48   1679   0.146
   'X-ray'   3.48   2.94   2014   0.160
   'X-ray'   2.94   2.59   2147   0.182
   'X-ray'   2.59   2.34   2127   0.193
   'X-ray'   2.34   2.15   2061   0.203
   'X-ray'   2.15   2.00   1647   0.188

Key Data Items

Category Data Items

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