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_refine_ls_R_factor_all           0.1735
_refine_ls_R_factor_gt            0.1146
_refine_ls_wR_factor_ref          0.3357
_refine_ls_wR_factor_gt           0.3124
_refine_ls_goodness_of_fit_ref    1.059
_refine_ls_restrained_S_all       1.058
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000


_diffrn_measured_fraction_theta_max    0.982
_diffrn_reflns_theta_full              25.02
_diffrn_measured_fraction_theta_full   0.982
_refine_diff_density_max    1.413
_refine_diff_density_min   -1.159
_refine_diff_density_rms    0.189


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_refine_ls_R_factor_all           0.1800
_refine_ls_R_factor_gt            0.1194
_refine_ls_wR_factor_ref          0.2291
_refine_ls_wR_factor_gt           0.2186
_refine_ls_goodness_of_fit_ref    1.425
_refine_ls_restrained_S_all       1.485
_refine_ls_shift/su_max           0.067
_refine_ls_shift/su_mean          0.004

_diffrn_measured_fraction_theta_max    0.982
_diffrn_reflns_theta_full              25.02
_diffrn_measured_fraction_theta_full   0.982
_refine_diff_density_max    2.153
_refine_diff_density_min   -1.024
_refine_diff_density_rms    0.191

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