Merge pull request #213 from rowlesmr/example-PD_QPA_CALIB_FACTOR

Author: rowlesmr

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.
 ;