Merge pull request COMCIFS#181 from jamesrhester/add_diffractogram_to_refln

REFLN category relates to particular diffractogram.

Author: rowlesmr

cif_pow.dic

@@ -12357,10 +12357,9 @@ save_REFLN
 
     loop_
       _category_key.name
-         '_refln.index_h'
-         '_refln.index_k'
-         '_refln.index_l'
+         '_refln.id'
          '_pd_refln.phase_id'
+         '_refln.diffractogram_id'
 
 save_
 
@@ -12424,6 +12423,24 @@ save_pd_refln.phase_id
 
 save_
 
+save_refln.diffractogram_id
+
+    _definition.id                '_refln.diffractogram_id'
+    _definition.update            2025-05-23
+    _description.text
+;
+    The diffractogram to which the reflection list relates.
+;
+    _name.category_id             refln
+    _name.object_id               diffractogram_id
+    _name.linked_item_id          '_pd_diffractogram.id'
+    _type.purpose                 Link
+    _type.source                  Related
+    _type.container               Single
+    _type.contents                Text
+
+save_
+
 save_refln.f_complex
 
     _definition.id                '_refln.F_complex'
@@ -12710,6 +12727,9 @@ save_
 
        Removed default values of _refln.f_complex and _refln.f_squared_meas.
 
+       Added child key data name of _pd_diffractogram.id to refln category.
+       Update refln category keys to match core.
+
        Added children of _pd_phase.id as key data names of CHEMICAL_*
        categories.
 ;