_refine_special_details     sfls:_F_calc_weight_full_matrix

    _refine_ls_structure_factor_coef   F
    _refine_ls_matrix_type             full
    _refine_ls_weighting_scheme        calc
    _refine_ls_weighting_details      'w=1/(u^2^(F)+0.0004F^2^)'
    _refine_ls_hydrogen_treatment      refxyz
    _refine_ls_extinction_method       Zachariasen
    _refine_ls_extinction_coef         3514(42)
    _refine_ls_extinction_expression
    ; Larson, A. C. (1970). "Crystallographic Computing", edited
      by F. R. Ahmed. Eq. (22) p. 292. Copenhagen: Munksgaard.
    ;
    _refine_ls_abs_structure_details
    ; The absolute configuration was assigned to agree with that
      of its precursor l-leucine at the chiral centre C3.
    ;
    _refine_ls_number_reflns           1408
    _refine_ls_number_parameters       272
    _refine_ls_number_restraints       0
    _refine_ls_number_constraints      0
    _refine_ls_R_factor_all            .038
    _refine_ls_R_factor_gt             .034
    _refine_ls_wR_factor_all           .044
    _refine_ls_wR_factor_gt            .042
    _refine_ls_goodness_of_fit_all    1.462
    _refine_ls_goodness_of_fit_gt     1.515
    _refine_ls_shift/su_max            .535
    _refine_ls_shift/su_mean           .044
    _refine_diff_density_min          -.108
    _refine_diff_density_max           .131