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leonarski_fandClaude Opus 4.8 ed9f6ac9eb integration: remove --reciprocal-profile (proven per-frame dead-end)
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An 11-crystal mosaicity-stratified re-test (/data/rotation_test, off vs on
vs a de-contaminated variant, plus a per-frame dump of the fitted widths)
showed the dial is net-negative and cannot work in the per-frame paradigm:

- The C|q|^2 mosaicity term - the whole point - is unfittable per-frame: the
  fitted curvature a2 comes out ~0 (often negative) on every crystal, with zero
  correlation to the XDS mosaicity (0.09..0.42 deg). Strong spots sit at low q
  where eta^2 q^2 is invisible; the curvature only appears at high q where there
  are ~0 strong spots. The law degenerates to a straight line.
- With a2~0 the high-res width becomes a blind 1/cos^2(2theta) extrapolation,
  2-4x wider than per-shell. The per-shell path's high-res "starvation" (flat
  narrow fallback) is accidentally correct: weak, crowded high-res spots want a
  narrow aperture, not the true wide spot shape.
- The over-wide profile pulls background into weak spots -> R-meas rises, CC1/2
  drops in reliable high-multiplicity shells (pding4_001, pding4_003, MyoB,
  EcwtCQ066). A cap at the widest well-sampled per-shell width recovers the
  regression, confirming over-widening is the harm. No crystal reliably wins;
  the apparent overall-CC gains were all in noise shells (mult 2-3, CC<20%).

Delete the CLI flag, the BraggIntegrationSettings::reciprocal_profile setting,
and the per-frame fit block. Default (per-shell) integration is byte-identical.
NEXTGEN_INTEGRATOR.md records the finding as a dead-end for posterity.

Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
2026-07-02 11:39:09 +02:00
leonarski_fandClaude Fable 5 7e3ad84a5b jfjoch_process/scale: default to mmCIF, auto-detect rotation, rot3d partiality
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- Default reflection format is now mmCIF (ScalingSettings.h, the single source of
  truth). jfjoch_process and jfjoch_scale no longer hard-code a local MTZ default;
  they override only when --scaling-output is given. jfjoch_viewer inherits this.
- A dataset with a rotation goniometer axis is processed as rotation data (two-pass
  indexing) by default; add --process-as-stills to force per-frame stills. -R still
  tunes the first-pass image count.
- rot3d is the default partiality model for rotation processing (fixed for stills)
  when no explicit -P is given.
- Update docs/JFJOCH_PROCESS.md: new de-novo rotation/stills examples, corrected
  -R/-P/--scaling-output defaults, --process-as-stills, and a real Integration table.

Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
2026-07-02 08:34:50 +02:00
leonarski_f 75e401f0e5 v1.0.0-rc.153 (#63)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* jfjoch_broker: Add EXPERIMENTAL pixelrefine mode for image processing
* jfjoch_broker: Allow to load user mask from 8-bit and 16-bit TIFF files
* jfjoch_broker: Add ROI calculation in non-FPGA workflow
* jfjoch_broker: Fixes to TCP image pusher
* jfjoch_broker: Remove NUMA bindings
* jfjoch_broker: Improvements to indexing
* jfjoch_broker: For PSI EIGER, trimming energies are taken from the detector configuration (now compulsory) instead of hardcoded values
* jfjoch_writer: Save ROI definitions and the per-pixel ROI bitmap in the master file; azimuthal ROIs support phi (angular) sectors
* jfjoch_viewer: Major redesign with dockable panels and saved layouts, plus on-canvas creation/move/resize of box, circle and azimuthal ROIs
* jfjoch_viewer: Run jfjoch_process reprocessing jobs from inside the GUI and overlay per-run results

Reviewed-on: #63
2026-06-23 20:29:49 +02:00