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46 changes: 45 additions & 1 deletion cif_pow.dic
Original file line number Diff line number Diff line change
Expand Up @@ -10742,7 +10742,7 @@ save_PD_PROC_OVERALL
_definition.id PD_PROC_OVERALL
_definition.scope Category
_definition.class Set
_definition.update 2025-04-18
_definition.update 2025-06-19
_description.text
;
This section contains overall information about the diffraction
Expand All @@ -10754,6 +10754,48 @@ save_PD_PROC_OVERALL
_name.object_id PD_PROC_OVERALL
_category_key.name '_pd_proc_overall.diffractogram_id'

loop_
_description_example.case
_description_example.detail
;
_pd_diffractogram.id PATTERN_42

_pd_proc.2theta_range_min 5.00
_pd_proc.2theta_range_max 95.00
_pd_proc.2theta_range_inc 0.02
_pd_proc.number_of_points 4501

loop_
_pd_data.point_id
_pd_proc.intensity_total
_pd_proc.intensity_total_su
1 1234 23
2 1256 24
#...
;
;
The processed diffractogram is in equally spaced 2θ points, starting
at 5.00° 2θ, going up in steps of 0.02°, with the last data point at
95.00° 2θ. In total, there are 4501 data points.
;
;
_pd_proc_overall.diffractogram_id PATTERN_43
_pd_proc.info_datetime 2042-12-13T02:37:23Z
_pd_proc.info_data_reduction
;
Background removed by spline fitting. Kɑ~2~ removed using
the built-in function. Pattern smoothed by Fourier methods.
Used EVA 15.
;
_pd_proc.info_excluded_regions '30-31° due to quartz impurity.'
;
;
The information here applies to the diffractogram with the id
'PATTERN_43'. The data were processed at 2:37 h GMT on the 13th of
December 2042. The data were modified as described. The data between
30 and 31° 2θ should be ignored, due to an impurity.
;

save_

save_pd_proc.2theta_range_inc
Expand Down Expand Up @@ -12830,4 +12872,6 @@ save_
Updated descriptions of data items linked to _pd_data.point_id to
clarify that identical values refer to the same data point in each
disparate loop; they cannot be assigned values independently.

Added examples PD_PROC_OVERALL
;