Data Category refine_ls_shell

General

Category name
refine_ls_shell
Required in PDB entries
no
Category group membership
refine_group
Used in current PDB entries
Yes, in about 74.9 % 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 REFINE_LS_SHELL category record details about
               the results of the least-squares refinement broken down into
               shells of resolution.

Category Example

 
    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 DIFFRACTION'   8.00   4.51   1226   0.196
   'X-RAY DIFFRACTION'   4.51   3.48   1679   0.146
   'X-RAY DIFFRACTION'   3.48   2.94   2014   0.160
   'X-RAY DIFFRACTION'   2.94   2.59   2147   0.182
   'X-RAY DIFFRACTION'   2.59   2.34   2127   0.193
   'X-RAY DIFFRACTION'   2.34   2.15   2061   0.203
   'X-RAY DIFFRACTION'   2.15   2.00   1647   0.188