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Category refine_ls_class

Category Description

              Data items in the REFINE_LS_CLASS category record details
               about the reflections used for the structure refinement
               for each reflection class separately.




Category Examples




Example 1:

    Example 1 - data for a modulated structure from van Smaalen
    [J. Phys. Condens. Matter (1991),  3, 1247-1263].




    loop_
        _refine_ls_class.R_factor_gt
        _refine_ls_class.code
                0.057    'Main'
                0.074    'Com'
                0.064    'NbRefls'
                0.046    'LaRefls'
                0.112    'Sat1'
                0.177    'Sat2'




Key Category Items

• _refine_ls_class.code



Items in Category refine_ls_class

Item Name	Mandatory Code
_refine_ls_class.code	yes
_refine_ls_class.d_res_high	no
_refine_ls_class.d_res_low	no
_refine_ls_class.R_factor_all	no
_refine_ls_class.R_factor_gt	no
_refine_ls_class.R_Fsqd_factor	no
_refine_ls_class.R_I_factor	no
_refine_ls_class.wR_factor_all	no

 

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