leonarski_f and Claude Opus 4.8 e45a1577d6
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jfjoch_process: optional absorption surface for rot3d scaling (--absorption) ...
Adds an opt-in smooth absorption correction for rotation scaling. After the
rot3d fulls are scaled, --absorption[=num] fits a multiplicative surface
A(s1_crystal) - a degree<=4 monomial basis (real spherical harmonics up to l=4,
as XDS/DIALS) of the diffracted-beam direction in the crystal/goniometer frame,
by ridge-regularized log-linear least-squares of I_scaled/I_ref weighted by
(I/sigma)^2, over num iterations (default 3); the surface divides image_scale_corr
and the fulls are re-merged.
Off by default and a no-op without rot3d. On the test panel (~13 keV, thin
crystals) it is metric-neutral - fitted rms(log A) ~3-4%, ISa/CC1/2 unchanged -
because absorption is negligible there and the per-frame scale G(phi) already
absorbs the angular part. It is kept as a lever for low-energy data (e.g. 6 keV)
where absorption becomes significant. Stored as ScalingSettings::absorption_iter.
Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com >
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leonarski_fandClaude Opus 4.8
e45a1577d6