R factors

all reflections
_reflns_number_all, _refine_ls_R_factor_all, _refine_ls_wR_factor_all

observer reflections
_reflns_number_observed, _refine_ls_R_factor_obs, _refine_ls_wR_factor_obs
For the modulated structure there is a table where the data for each one of the additional reflections have to be given. The corresponding items are:
code
_diffrn_reflns_class_code -- an identifier for the current reflection. Its value can not be changed.

description
_diffrn_reflns_class_description -- a brief description of the reflections in the current class.

number (all)
_reflns_class_number_of_reflns_total -- >the total number of reflections

number (intense)
_reflns_class_number_of_reflns_gt -- the number of significantly intense reflections

R (all)
_refine_ls_class_R_factor_all -- the residual factor for all reflections

R (intense)
_refine_ls_class_R_factor_gt -- the residual factor for significantly intense reflections

wR
_refine_ls_class_wR_factor_all -- the weighted residual factor for all reflections


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