Skip to content
Merged
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
90 changes: 87 additions & 3 deletions cif_pow.dic
Original file line number Diff line number Diff line change
Expand Up @@ -8064,7 +8064,7 @@ save_PD_MEAS_OVERALL
_definition.id PD_MEAS_OVERALL
_definition.scope Category
_definition.class Set
_definition.update 2025-04-18
_definition.update 2025-06-19
_description.text
;
This section contains information about the conditions used for
Expand All @@ -8078,6 +8078,90 @@ save_PD_MEAS_OVERALL
_name.object_id PD_MEAS_OVERALL
_category_key.name '_pd_meas_overall.diffractogram_id'

loop_
_description_example.case
_description_example.detail
;
_pd_diffractogram.id PATTERN_37

_pd_meas.2theta_range_min 5.00
_pd_meas.2theta_range_max 95.00
_pd_meas.2theta_range_inc 0.02
_pd_meas.number_of_points 4501
_pd_meas.scan_method cont

_pd_meas.datetime_initiated 2023-02-27T22:45:00+08:00

_pd_meas.rocking_angle 180
_pd_meas.rocking_axis phi
_pd_instr.geometry Bragg-Brentano

loop_
_pd_data.point_id
_pd_meas.counts_total
1 1234
2 1256
#...
;
;
The measured 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. The data were
collected in a continuous scan, such that the detector did not stop
moving, and the intensities were binned according to the goniometer
angle during the collection time per step. Data collection was started
on the 27^th^ of February, 2023 at 2245 h in a timezone +8 h from UTC.
The specimen was rotated 180° during the collection of the data for
each measurement point.
;
;
_pd_meas.rocking_angle 2.5
_pd_meas.rocking_axis omega
_pd_meas.scan_method step

_pd_instr.geometry Bragg-Brentano

_pd_diffractogram.id PATTERN_96

loop_
_pd_data.point_id
_pd_meas.2theta_scan
_pd_meas.counts_total
1 5.02 1234
2 5.04 1256
#...
;
;
The information here applies to the diffractogram with the id
'PATTERN_96'. For each measurement point, the specimen rotated ±2.5°
from its standard position about the omega axis.
;
;
_pd_diffractogram.id EDD_123

_pd_meas.2theta_fixed 5
_pd_meas.angle_chi 45
_pd_meas.units_of_intensity
'Proportional to current (ampere) from Si(Li) detector.'
_pd_meas.scan_method disp

loop_
_pd_data.point_id
_pd_proc.energy_detection
_pd_meas.intensity_total
_pd_meas.intensity_total_su
1 50300 1234 23
2 50400 1256 24
#...
;
;
The information here applies to the diffractogram with the id
'EDD_123'. The detector was fixed at 5° 2θ and tilted at
45° χ. The data were collected in energy-dispersive mode, where
the intensity recorded was proportional to the current measured in
the Si(Li) detector.
;

save_

save_pd_meas.2theta_fixed
Expand Down Expand Up @@ -13300,8 +13384,8 @@ save_
disparate loop; they cannot be assigned values independently.

Added examples to PD_CALC_OVERALL, PD_CALIB_INCIDENT_INTENSITY, PD_CHAR,
PD_DIFFRACTOGRAM, PD_PEAK, _pd_phase.id, PD_PHASE_MASSS, PD_PREP,
PD_PROC_LS, PD_QPA_CALIB_FACTOR, PD_SPEC.
PD_DIFFRACTOGRAM, PD_MEAS_OVERALL, PD_PEAK, _pd_phase.id, PD_PHASE_MASSS,
PD_PREP, PD_PROC_LS, PD_QPA_CALIB_FACTOR, PD_SPEC.

Add _pd_peak.overall_id

Expand Down