diff --git a/cif_pow.dic b/cif_pow.dic index 8d56e0e..92bf921 100644 --- a/cif_pow.dic +++ b/cif_pow.dic @@ -11156,7 +11156,7 @@ save_PD_QPA_CALIB_FACTOR _definition.id PD_QPA_CALIB_FACTOR _definition.scope Category _definition.class Set - _definition.update 2023-01-15 + _definition.update 2025-06-19 _description.text ; This category gives the value of the calibration constant by which the @@ -11172,6 +11172,61 @@ save_PD_QPA_CALIB_FACTOR _name.object_id PD_QPA_CALIB_FACTOR _category_key.name '_pd_qpa_calib_factor.phase_id' + _description_example.case +; + data_phase_A + _pd_phase.id PHASE_A + _pd_qpa_calib_factor.I_over_Ic 3.26 + + data_phase_B + _pd_phase.id PHASE_B + _pd_qpa_calib_factor.I_over_Ic 4.79 + + data_phase_C + _pd_phase.id PHASE_C + _pd_qpa_calib_factor.I_over_Ic 1.00 + + data_diffractogram_block + _audit.schema Custom + _pd_diffractogram.id UNKNOWN_DIFFRACTOGRAM + + loop_ + _pd_phase_mass.phase_id + _pd_phase_mass.percent + PHASE_A 52.02(15) + PHASE_B 17.90(15) + PHASE_C 30.08(14) + + _pd_qpa_overall.method I/Ic + + loop_ + _pd_qpa_intensity_factor.phase_id + _pd_qpa_intensity_factor.value + PHASE_A 242.54(81) + PHASE_B 122.6(12) + PHASE_C 43.02(25) +; + _description_example.detail +; + A diffraction pattern containing three phases (PHASE_A, PHASE_B, and + PHASE_C) has been quantified using the I/Ic specialisation of the RIR + algorithm. + + The I/Ic value for each of the phases is specified by the values of + _pd_qpa_calib_factor.I_over_Ic. The intensity factors to which each + of the I/Ic values are applied are given by the values of + _pd_qpa_intensity_factor.value. + + The quantification values given by _pd_phase_mass.percent can now be + confirmed by following the I/Ic algorithm detailed in + _pd_qpa_overall.method. + + As there are loops containing data names linked to key data names of + Set categories (_pd_phase_mass.phase_id and + _pd_qpa_intensity_factor.phase_id), the _audit.schema value for the + last block must take the value 'Custom' +; + save_ save_pd_qpa_calib_factor.absorption_diffraction @@ -13057,6 +13112,8 @@ save_ clarify that identical values refer to the same data point in each disparate loop; they cannot be assigned values independently. + Added example PD_QPA_CALIB_FACTOR + Added examples to PD_CALC_OVERALL, PD_CALIB_INCIDENT_INTENSITY, PD_CHAR, _pd_diffractogram.id, PD_PHASE_MASS, PD_PROC_LS, PD_SPEC. ;