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Category refine_ls_shell
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Category Description
Data items in the REFINE_LS_SHELL category record details about
the results of least-squares refinement, broken out by shells of
resolution.
Category Examples
Example 1:
Example 1 - based on PDB entry 5HVP and laboratory records for the
structure corresponding to PDB entry 5HVP
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 Category Items
Items in Category refine_ls_shell
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