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ce2de47
pd_amorphous keys now given in alphabetical order
rowlesmr Jun 24, 2026
3c33dd1
PD_DATA keys in alphabetical order
rowlesmr Jun 24, 2026
f849b07
pd_meas keys in alphabetical order
rowlesmr Jun 24, 2026
d9191dc
pd_proc keys in alphabetical order
rowlesmr Jun 24, 2026
a6c271e
refln keys in alphabetical order
rowlesmr Jun 24, 2026
31aea05
Altered keys of pd_calib_xcoord
rowlesmr Jun 24, 2026
a6a5581
enhanced example of PD_QPA_EXTERNAL_STD
rowlesmr Jun 24, 2026
2a68c0e
changed _pd_qpa_external_std key to _pd_qpa_external_std.instr_id
rowlesmr Jun 24, 2026
60b19ac
CHEMICAL_CONN_BOND keys alphabetical
rowlesmr Jun 24, 2026
914022b
PD_CALC_COMPONENT keys alphabetical
rowlesmr Jun 24, 2026
ac45c0d
pd_calib_offset keys alphabetical
rowlesmr Jun 24, 2026
f522585
PD_CALC keys alphabetical
rowlesmr Jun 24, 2026
9e0b669
fix layout
rowlesmr Jun 24, 2026
a26cb6d
Revert "PD_CALC keys alphabetical"
rowlesmr Jul 5, 2026
062f39b
Revert "pd_calib_offset keys alphabetical"
rowlesmr Jul 5, 2026
0734ed4
Revert "PD_CALC_COMPONENT keys alphabetical"
rowlesmr Jul 5, 2026
5ba4131
Revert "CHEMICAL_CONN_BOND keys alphabetical"
rowlesmr Jul 5, 2026
f3184f9
Revert "pd_amorphous keys now given in alphabetical order"
rowlesmr Jul 5, 2026
4fd1cb7
Revert "PD_DATA keys in alphabetical order"
rowlesmr Jul 5, 2026
f4adfc4
Revert "pd_meas keys in alphabetical order"
rowlesmr Jul 5, 2026
b25e6b1
Revert "pd_proc keys in alphabetical order"
rowlesmr Jul 5, 2026
0795c3f
Revert "refln keys in alphabetical order"
rowlesmr Jul 5, 2026
0257a5a
Revert "changed _pd_qpa_external_std key to _pd_qpa_external_std.inst…
rowlesmr Jul 5, 2026
84b1d57
Revert "enhanced example of PD_QPA_EXTERNAL_STD"
rowlesmr Jul 5, 2026
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31 changes: 17 additions & 14 deletions cif_pow.dic
Original file line number Diff line number Diff line change
Expand Up @@ -3474,7 +3474,7 @@ save_PD_CALIB_XCOORD
_definition.id PD_CALIB_XCOORD
_definition.scope Category
_definition.class Loop
_definition.update 2025-06-19
_definition.update 2026-06-24
_description.text
;
This category allows for the calibration of various X-coordinate axes
Expand Down Expand Up @@ -3518,8 +3518,8 @@ save_PD_CALIB_XCOORD

loop_
_category_key.name
'_pd_calib_xcoord.detector_id'
'_pd_calib_xcoord.id'
'_pd_calib_xcoord.xcoord_overall_id'

loop_
_description_example.case
Expand All @@ -3535,22 +3535,24 @@ save_PD_CALIB_XCOORD
_pd_calib_xcoord.id
_pd_calib_xcoord.nominal_2theta
_pd_calib_xcoord.actual_2theta
a 10.01 10.011
b 10.03 10.032
c 10.05 10.053
d 10.07 10.074
_pd_calib_xcoord.detector_id
a 10.01 10.011 A
b 10.03 10.032 A
c 10.05 10.053 A
d 10.07 10.074 A
# ...

loop_
_pd_data.point_id
_pd_meas.2theta_scan
_pd_meas.detector_id
_pd_proc.2theta_corrected
_pd_meas.counts_total
_pd_calc.intensity_total
1 10.01 10.011 1234 1234.1
2 10.03 10.033 1235 1235.3
3 10.05 10.055 1352 1236.5
4 10.07 10.077 1324 1237.7
1 10.01 A 10.011 1234 1234.1
2 10.03 A 10.033 1235 1235.3
3 10.05 A 10.055 1352 1236.5
4 10.07 A 10.077 1324 1237.7
# ...

data_unknownsample
Expand All @@ -3562,10 +3564,11 @@ save_PD_CALIB_XCOORD
_pd_meas.2theta_scan
_pd_proc.2theta_corrected
_pd_meas.counts_total
A 10.02 10.022 3134
B 10.04 10.044 3335
C 10.06 10.066 3452
D 10.08 10.088 3324
_pd_meas.detector_id
A 10.02 10.022 3134 A
B 10.04 10.044 3335 A
C 10.06 10.066 3452 A
D 10.08 10.088 3324 A
# ...
;
;
Expand Down