@@ -14,7 +14,7 @@ data_CIF_POW
1414 _dictionary.title CIF_POW
1515 _dictionary.class Instance
1616 _dictionary.version 2.5.0
17- _dictionary.date 2025-06-19
17+ _dictionary.date 2025-06-23
1818 _dictionary.uri
1919https://raw.githubusercontent.com/COMCIFS/Powder_Dictionary/master/cif_pow.dic
2020 _dictionary.ddl_conformance 4.2.0
@@ -8604,6 +8604,25 @@ save_pd_peak.intensity_su
86048604
86058605save_
86068606
8607+ save_pd_peak.overall_id
8608+
8609+ _definition.id '_pd_peak.overall_id'
8610+ _definition.update 2025-06-23
8611+ _description.text
8612+ ;
8613+ A code linking to general information about peak description and
8614+ determination for the peaks.
8615+ ;
8616+ _name.category_id pd_peak
8617+ _name.object_id overall_id
8618+ _name.linked_item_id '_pd_peak_overall.id'
8619+ _type.purpose Link
8620+ _type.source Assigned
8621+ _type.container Single
8622+ _type.contents Code
8623+
8624+ save_
8625+
86078626save_pd_peak.pk_height
86088627
86098628 _definition.id '_pd_peak.pk_height'
@@ -8761,25 +8780,32 @@ save_PD_PEAK_OVERALL
87618780 _name.category_id PD_GROUP
87628781 _name.object_id PD_PEAK_OVERALL
87638782 _category_key.name '_pd_peak_overall.id'
8764-
8765- loop_
8766- _description_example.case
8783+ _description_example.case
87678784;
8768- _pd_peak_overall.id PEAK_GROUP_1
8769- _pd_peak.special_details
8770- ;
8785+ _pd_peak_overall.id PEAK_GROUP_1
8786+ _pd_peak.special_details
8787+ ;
87718788 Peak positions allowed to refine freely. Peak widths
87728789 constrained to follow UVW relationship. Peak shape
87738790 constrained to be Lorentzian.
8774- ;
8791+ ;
8792+ loop_
8793+ _pd_peak.id
8794+ _pd_peak.2theta_centroid
8795+ _pd_peak.width_2theta
8796+ _pd_peak.intensity
8797+ _pd_peak.intensity_su
8798+ _pd_peak.overall_id
8799+ A 12.35 0.26 1023 7 PEAK_GROUP_1
8800+ B 24.74 0.56 2318 15 PEAK_GROUP_1
8801+ C 37.79 0.61 506 2 PEAK_GROUP_1
87758802;
8803+ _description_example.detail
87768804;
8777- _pd_peak_overall.id peaks
8778- _pd_peak.special_details
8779- ;
8780- Peak positions fixed by second-derivative analysis.
8781- Widths allowed to refine freely. Pearson-VII peakshape.
8782- ;
8805+ The position, width, and intensity of three peaks are given.
8806+ The details of how these values were determined are given by
8807+ _pd_peak.special_details. These details are linked to the
8808+ individual peaks by the _pd_pea_overall.id "PEAK_GROUP_1".
87838809;
87848810
87858811save_
@@ -12852,4 +12878,6 @@ save_
1285212878 disparate loop; they cannot be assigned values independently.
1285312879
1285412880 Added examples to PD_PEAK_OVERALL
12881+
12882+ Add _pd_peak.overall_id
1285512883;
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