XmlmmCIF equivalent: refln Data items in the REFLN category record details about the reflection data used to determine the ATOM_SITE data items. The REFLN data items refer to individual reflections and must be included in looped lists. The REFLNS data items specify the parameters that apply to all reflections. The REFLNS data items are not looped. XmlmmCIF equivalent: refln/A_calc The calculated value of structure-factor component A, in electrons. A = |F|cos(phase) XmlmmCIF equivalent: refln/A_calc_au The calculated value of structure-factor component A, in arbitrary units. A = |F|cos(phase) XmlmmCIF equivalent: refln/A_meas The measured value of structure-factor component A, in electrons. A = |F|cos(phase) XmlmmCIF equivalent: refln/A_meas_au The measured value of structure-factor component A, in arbitrary units. A = |F|cos(phase) XmlmmCIF equivalent: refln/B_calc The calculated value of structure-factor component B, in electrons. B = |F|sin(phase) XmlmmCIF equivalent: refln/B_calc_au The calculated value of structure-factor component B, in arbitrary units. B = |F|sin(phase) XmlmmCIF equivalent: refln/B_meas The measured value of structure-factor component B, in electrons. B = |F|sin(phase) XmlmmCIF equivalent: refln/B_meas_au The measured value of structure-factor component B, in arbitrary units. B = |F|sin(phase) XmlmmCIF equivalent: refln/F_calc The calculated value of the structure factor in electrons. XmlmmCIF equivalent: refln/F_calc_au The calculated value of the structure factor in arbitrary units. XmlmmCIF equivalent: refln/F_meas The measured value of the structure factor in electrons. XmlmmCIF equivalent: refln/F_meas_au The measured value of the structure factor in arbitrary units. XmlmmCIF equivalent: refln/F_meas_sigma The standard uncertainty (e.s.d.) of _refln.F_meas, in electrons. XmlmmCIF equivalent: refln/F_meas_sigma_au The standard uncertainty (e.s.d.) of _refln.F_meas_au, in arbitrary units. XmlmmCIF equivalent: refln/F_squared_calc The calculated value of the squared structure factor, in electrons squared. XmlmmCIF equivalent: refln/F_squared_meas The measured value of the squared structure factor, in electrons squared. XmlmmCIF equivalent: refln/F_squared_sigma The standard uncertainty (derived from measurement) of the squared structure factor, in electrons squared. XmlmmCIF equivalent: refln/crystal_id This data item is a pointer to _exptl_crystal.id in the EXPTL_CRYSTAL category. XmlmmCIF equivalent: refln/fom The figure of merit m for this reflection. int P~alpha~ exp(i*alpha) dalpha m = ----------------------------------------------------------------------- int P~alpha~ dalpha P~a~ = the probability that phase angle a is correct int is taken over the range alpha = 0 to 2 pi. XmlmmCIF equivalent: refln/intensity_calc The calculated value of the intensity, in the measured units. XmlmmCIF equivalent: refln/intensity_meas The measured value of the intensity, in the measured units. XmlmmCIF equivalent: refln/intensity_sigma The standard uncertainty (derived from measurement) of the intensity, in the measured units. XmlmmCIF equivalent: refln/mean_path_length_tbar Mean path length in millimetres through the crystal for this reflection. XmlmmCIF equivalent: refln/pdbx_F_calc_part_solvent The calculated value of the structure factor in arbitrary units reflecting only the contribution of the solvent model. XmlmmCIF equivalent: refln/pdbx_F_calc_with_solvent The calculated value of the structure factor in arbitrary units including the contribution of the solvent model. XmlmmCIF equivalent: refln/pdbx_phase_calc_part_solvent The calculated structure-factor phase in degrees reflecting only the contribution of the solvent model. XmlmmCIF equivalent: refln/pdbx_phase_calc_with_solvent The calculated structure-factor phase in degrees including the contribution of the solvent model. XmlmmCIF equivalent: refln/phase_calc The calculated structure-factor phase in degrees. XmlmmCIF equivalent: refln/phase_meas The measured structure-factor phase in degrees. XmlmmCIF equivalent: refln/refinement_status Status of reflection in the structure refinement process. XmlmmCIF equivalent: refln/scale_group_code This data item is a pointer to _reflns_scale.group_code in the REFLNS_SCALE_GROUP category. XmlmmCIF equivalent: refln/sint_over_lambda The (sin theta)/lambda value in reciprocal angstroms for this reflection. XmlmmCIF equivalent: refln/status Classification of a reflection so as to indicate its status with respect to inclusion in refinement and calculation of R factors. XmlmmCIF equivalent: refln/symmetry_epsilon The symmetry reinforcement factor corresponding to the number of times the reflection indices are generated identically from the space-group symmetry operations. XmlmmCIF equivalent: refln/symmetry_multiplicity The number of symmetry-equivalent reflections. The equivalent reflections have the same structure-factor magnitudes because of the space-group symmetry and the Friedel relationship. XmlmmCIF equivalent: refln/wavelength The mean wavelength in angstroms of radiation used to measure this reflection. This is an important parameter for data collected using energy-dispersive detectors or the Laue method. XmlmmCIF equivalent: refln/wavelength_id This data item is a pointer to _diffrn_radiation.wavelength_id in the DIFFRN_RADIATION category. XmlmmCIF equivalent: refln/index_h Miller index h of the reflection. The values of the Miller indices in the REFLN category must correspond to the cell defined by cell lengths and cell angles in the CELL category. XmlmmCIF equivalent: refln/index_k Miller index k of the reflection. The values of the Miller indices in the REFLN category must correspond to the cell defined by cell lengths and cell angles in the CELL category. XmlmmCIF equivalent: refln/index_l Miller index l of the reflection. The values of the Miller indices in the REFLN category must correspond to the cell defined by cell lengths and cell angles in the CELL category.