Core dictionary (coreCIF) version 2.4.5
Data items in the DIFFRN_REFLNS_CLASS category record details about the classes of reflections measured in the diffraction experiment.Example:
Example 1 - example corresponding to the one-dimensional incommensurately
modulated structure of K~2~SeO~4~. Each reflection class is
defined by the number m=sum|m~i~|, where the m~i~ are the
integer coefficients that, in addition to h,k,l, index the
corresponding diffraction vector in the basis defined for
the reciprocal lattice.
loop_ _diffrn_reflns_class_number _diffrn_reflns_class_d_res_high _diffrn_reflns_class_d_res_low _diffrn_reflns_class_av_R_eq _diffrn_reflns_class_code _diffrn_reflns_class_description 1580 0.551 6.136 0.015 'Main' 'm=0; main reflections' 1045 0.551 6.136 0.010 'Sat1' 'm=1; first-order satellites'