Adding category examples

[rowlesmr]

Adding examples of use at the category level.

Not updating update dates yet.

Categories:

• [ ] PD_AMORPHOUS
• [x] PD_BACKGROUND
• [X] PD_BLOCK
  • example is in _pd_block.id, but it's the only member.
• [x] PD_CALC_COMPONENT
• [x] PD_CALC_OVERALL
• [x] PD_CALIB_D_TO_TOF
• [x] PD_CALIB_DETECTED_INTENSITY
• [x] PD_CALIB_INCIDENT_INTENSITY
• [x] PD_CALIB_WAVELENGTH
• [x] PD_CALIB_XCOORD
• [x] PD_CALIBRATION
• [x] PD_CHAR
• [x] PD_DATA (containing PD_CALC, PD_MEAS, PD_PROC)
• [x] PD_DIFFRACTOGRAM
  • example is in _pd_diffractogram.id, but there're only two members.
• [x] PD_INSTR
• [x] PD_INSTR_DETECTOR
• [x] PD_MEAS_OVERALL
• [x] PD_PEAK
• [x] PD_PEAK_OVERALL
• [x] PD_PHASE
  • examples are in the individual members
• [x] PD_PHASE_MASS
• [x] PD_PREF_ORIENT_MARCH_DOLLASE
• [x] PD_PREF_ORIENT_SPHERICAL_HARMONICS
• [x] PD_PREP
• [x] PD_PROC_LS
• [x] PD_PROC_OVERALL
• [x] PD_QPA_CALIB_FACTOR
• [x] PD_QPA_EXTERNAL_STD
• [x] PD_QPA_INTENSITY_FACTOR
• [x] PD_QPA_INTERNAL_STD
• [x] PD_QPA_OVERALL
• [x] PD_SPEC

Not (currently) going to, as other categories are taking over, or have taken over:

• PD_BLOCK_DIFFRACTOGRAM
• PD_CALIB
• PD_CALIB_OFFSET
• PD_CALIB_STD
• PD_MEAS_INFO_AUTHOR
• PD_PHASE_BLOCK
• PD_PREF_ORIENT
• PD_PROC_INFO_AUTHOR

[rowlesmr]

I don't think that _pd_calib_detected_intensity.id is a necessary category key, but also:

Apart from that I think including an identifier data name in the key is fine, e.g. you just keep calibrating the instrument every week and assign an identifier to each calibration https://github.com/COMCIFS/Powder_Dictionary/pull/92#issuecomment-1493593082

[rowlesmr]

I don't think that _pd_calib_detected_intensity.id is a necessary category key, but also:

Apart from that I think including an identifier data name in the key is fine, e.g. you just keep calibrating the instrument every week and assign an identifier to each calibration #92 (comment)

I think we should keep _pd_calib_detected_intensity.id (due to being able to record multiple calibrations on the same instrument over time*), but I am now unsure that _pd_calib_detected_intensity.diffractogram_id is doing it's job.

If I have

data_unknown_diffractogram
_pd_diffractogram.id UNKNOWN_SPECIMEN

loop_
_pd_calib_detected_intensity.id
_pd_calib_detected_intensity.detector_id
_pd_calib_detected_intensity.detector_response
_pd_calib_detected_intensity.special_details
1   1_4913c6ed   1       'Scanned through direct beam.'
1   2_4913c6ed   0.973   'Scanned through direct beam.'
1   3_4913c6ed   0.997   'Scanned through direct beam.'
1   4_4913c6ed   1.039   'Scanned through direct beam.'
#...

then _pd_calib_detected_intensity.diffractogram_id gets the value 'UNKNOWN_SPECIMEN', when the intention is to record the diffractogram which was used to make the calibration, if such a diffractogram exists (which doesn't, in this case).

I think this ties in to #163.

This whole argument also applies to _pd_calib_incident_intensity.diffractogram_id

* I need to add a key to PD_CALIB_INCIDENT_INTENSITY.