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alter category keys: pd_calib_xcoord#290

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rowlesmr wants to merge 24 commits into
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rowlesmr:checking-keys
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alter category keys: pd_calib_xcoord#290
rowlesmr wants to merge 24 commits into
COMCIFS:masterfrom
rowlesmr:checking-keys

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@rowlesmr

@rowlesmr rowlesmr commented Jun 24, 2026

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pd_calib_xcoord - originally keyed on .id and .xcoord_overall_id (linked to _pd_calib_xcoord_overall.id). There was no way to link each point of the calibration to the detector it was calibrating. .xcoord_overall_id was demoted to linked non-key data item. .detector_id promoted to part of composite key. Updated the examples.

rowlesmr added 24 commits June 24, 2026 20:39
Removed _pd_calib_xcoord.xcoord_overall_id (kept as linked non-key)
Added _pd_calib_xcoord.detector_id -> otherwise don't know which detector is being calibrated
It was a circuitous lookup. Use instr_id associated with the unknown diffractogram to look up the (non-key) instr_id of the diffractogram in the qpa_ext_std table to get the k_factor.

K factors are associated with instruments. If anything changes in the instrument, particularly anything to do with flux, a new id is required, and so a new K_factor can be gotten.
@rowlesmr rowlesmr changed the title alter category keys: pd_calib_xcoord and pd_qpa_external_std alter category keys: pd_calib_xcoord Jul 5, 2026
@rowlesmr

rowlesmr commented Jul 6, 2026

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This is against cif_pow.dic, and so is very broken..

see #315

@rowlesmr rowlesmr closed this Jul 6, 2026
@rowlesmr rowlesmr deleted the checking-keys branch July 6, 2026 13:45
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