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73 changes: 50 additions & 23 deletions cif_pow.dic
Original file line number Diff line number Diff line change
Expand Up @@ -324,7 +324,7 @@ save_PD_AMORPHOUS
_definition.id PD_AMORPHOUS
_definition.scope Category
_definition.class Loop
_definition.update 2023-01-08
_definition.update 2026-05-18
_description.text
;
This section contains information about peaks in an amorphous phase
Expand All @@ -334,9 +334,9 @@ save_PD_AMORPHOUS

See PD_PEAK for details on the specific peak parameters that may be
recorded. Each amorphous peak may or may not be associated with an indexed
reflection, and as such, an "amorphous" phase could represent a material
with an unknown crystal structure. Amorphous peaks do not correspond to
background, and should not be used as such.
reflection, and as such, an "amorphous" phase, or phases, could represent
a material with an unknown crystal structure. Amorphous peaks do not
correspond to background, and should not be used as such.

Note that peak positions are customarily determined from the processed
diffractogram, and thus corrections for position and intensity will have
Expand All @@ -348,7 +348,52 @@ save_PD_AMORPHOUS
loop_
_category_key.name
'_pd_amorphous.peak_id'
'_pd_amorphous.phase_id'
'_pd_amorphous.diffractogram_id'

_description_example.case
;
data_block_1
_pd_diffractogram.id A_HISTOGRAM

loop_
_pd_peak.id
_pd_peak.d_spacing
_pd_peak.pk_height
_pd_peak.width_2theta
a 4.31 2 3.2
b 4.25 17 0.193
c 3.34 101 0.198
d 3.11 4 4.7

loop_
_pd_amorphous.peak_id
a d
;
_description_example.detail
;
In the diffraction pattern identified by `A_HISTOGRAM`,
there are four peaks with the given details. Two
peaks are marked as amorphous. The remaining peaks
would be assigned elsewhere to other crystalline phases.
;

save_

save_pd_amorphous.diffractogram_id

_definition.id '_pd_amorphous.diffractogram_id'
_definition.update 2026-05-18
_description.text
;
A diffractogram id to which the amorphous peaks relates.
;
_name.category_id pd_amorphous
_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_

Expand Down Expand Up @@ -395,24 +440,6 @@ save_pd_amorphous.peak_overall_id

save_

save_pd_amorphous.phase_id

_definition.id '_pd_amorphous.phase_id'
_definition.update 2023-01-08
_description.text
;
The phase (see _pd_phase.id) to which the amorphous peak relates.
;
_name.category_id pd_amorphous
_name.object_id phase_id
_name.linked_item_id '_pd_phase.id'
_type.purpose Link
_type.source Related
_type.container Single
_type.contents Text

save_

save_PD_BACKGROUND

_definition.id PD_BACKGROUND
Expand Down