Merge pull request #216 from rowlesmr/example-PD_SPEC

Author: rowlesmr

cif_pow.dic

@@ -12316,6 +12316,37 @@ save_PD_SPEC
     _name.category_id             PD_GROUP
     _name.object_id               PD_SPEC
     _category_key.name            '_pd_spec.id'
+    _description_example.case
+;
+         _pd_spec.prep_id       ABC123_main
+         _pd_spec.id            ABC123_03
+         _pd_spec.description   'Iron ore from FeOre Inc. ID number ABC123'
+         _pd_spec.mount_mode    reflection
+         _pd_spec.mounting      'back-packed powder pellet'
+         _pd_spec.orientation   horizontal
+         _pd_spec.preparation
+      ;
+         50 g of received sample was homogenised and cone-and-quartered
+         to obtain a 3 g split. 1 g of ɑ-alumina was added as an internal
+         standard. The specimen was micronised for 15 min with 15 ml of
+         ethanol and dried at 45 °C. The resulting powder was backpressed
+         into a holder with a semi-automated press.
+      ;
+         _pd_spec.shape         flat_sheet
+         _pd_spec.size_axial    25.0
+         _pd_spec.size_equat    25.0
+         _pd_spec.size_thick     3.5
+;
+    _description_example.detail
+;
+         A specimen of iron ore, from FeOre Inc., with an added internal
+         standard was prepared for analysis. The sample from which the specimen
+         was prepared is identified by a _pd_prep.id value of "ABC123_main".
+         The data were collected in reflection on an instrument where the
+         incident and diffracted beams are vertical. The specimen flat, and is
+         25.0 x 25.0 mm, or it could be inferred to be 25 mm diameter.
+         The specimen was prepared as described.
+;
 
 save_
 
@@ -13008,5 +13039,5 @@ save_
        disparate loop; they cannot be assigned values independently.
 
        Added examples to PD_CALC_OVERALL, PD_CALIB_INCIDENT_INTENSITY, PD_CHAR,
-       _pd_diffractogram.id, PD_PHASE_MASS, PD_PROC_LS.
+       _pd_diffractogram.id, PD_PHASE_MASS, PD_PROC_LS, PD_SPEC.
 ;