Wherever the correction is set for the whole run its curve is the frame's peak-excluded ring
background (the adaptive spot finder's, whole frame) and the ring's clip follows it - as stills have
done since integ-pal - now rotation too. One empty-aperture measurement (BackgroundAperture) decides
it for both workflows:
- The apertures' corrected difference is now taken as the integrator applies the correction: the
clip follows the curve (each ring pixel's threshold raised by the curve's rise from the centre, in
whole counts) as well as the kernel correction. Before, the tally clipped flat, so it measured a
correction the engine never applies.
- Rotation measures the stencils the spot width can give it (r1 = 4, 5, 6 with the ring-area rule,
RotationStencil) and decides on the one it gets, and separately on the pre-adaptive stencil the
geometry pre-pass and the starvation guard return to.
- Stills: on wherever the corrected ring predicts the empty disk better (unchanged rule).
Rotation: the frame's curve on every image only where it takes >= 10% of the apertures' mean
square error away (ROTATION_RADIAL_MIN_GAIN); otherwise the existing per-image ice gate with the
reflections' curve is left exactly as it was. Why a margin on rotation only: a still has no other
correction, a sweep has one. Measured over 18 rotation sets (forced on every image): photon-counting
sweeps gain 0.1-5% on the apertures (z 3-4) and lose ISa/anomalous signal when corrected
(insulin, lysozyme, cytochrome c; 9yzk R-free +0.009 at 1.2%), as the earlier stills-rule trial
found; the home-source CCD and smooth-ice runs gain 13-31%.
Result (CPU A/B vs 87684012f, 18 rotation sets): 12 .hkl byte-identical (every photon-counting
control without ice), 5uth R-free 0.210 -> 0.201 / ISa 10.4 -> 10.8, the ice set neutral; stills:
lcls242_s turns the correction on (the clip-following tally), R-free 0.2399 -> 0.2406.
No integration kernel changed; the tally is host code. Tests: BackgroundAperture_CorrectedClipFollowsTheCurve,
RadialHelps margins.
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
(cherry picked from commit dd3f3f2da39f5338e7dda1874bbdd535229bce98)
The gain of an input in detector units (SMV, marCCD, XTC, the XFEL formats) is measured once, before
anything reads the frames (RugnuxMeasureGain: photon-peak spacing and background variance per unit
mean), or given with --gain, and handed to the integration and the spot finding by one function
(ApplyRugnuxPixelGain). The rotation pre-scan no longer measures it, and the stills reader no longer
converts frames of a detector whose photons are not resolved: SACLA MPCCD, Rayonix and CCD frames are
integrated in ADU at the gain, rotation and stills alike.
Where a photon count was assumed, it is now taken at the gain (bit-identical at gain 1):
- integration: the background clip's one-photon floor, the sigma floor (one photon), the profile fit's
background floor (0.01 photon), and a still's overload kept as a lower bound, which was left in ADU
while every other reflection left the integrator in photons - the cause of the earlier loss of the
engine route on clipped CCD stills (merged low resolution inflated by the gain, the rocking-width
fit's bandwidth collapsing); CPU and CUDA, Metal through the shared CPU code;
- the adaptive spot threshold (Poisson arm and its one-photon floor), CPU and GPU;
- the pre-scan spot-width measurement (strong-spot SNR, the ring clip) behind the stills bandwidth and
the rotation signal radius;
- the hot/dead pixel tests, CPU and GPU; the empty-aperture ring clip.
BackgroundPixelGain is gone: one pixel_gain.
A detector whose background resolves single photons (photon peaks: JUNGFRAU in keV, AGIPD) is a photon
counter and its frames are still counted in whole photons as read: analysed in keV at the gain instead,
a photon-counting still set lost 0.008 R-free (fewer spots, a noisier beam-centre trial) - the rounding
is the detector's own discrimination. --gain sets the value, the background still says which kind.
Validation, against rc178: photon-counting and g<=1 rotation p.hkl md5-identical (lyso, thau, cytc,
myob, insu, a small-molecule set, 5reo, 6cee, 6i3j, 2xfw, 6s1u, 8v4j); CCD g>1 at or within noise of rc178 (5uth
R_meas 0.113 -> 0.108). Stills R-free (0-cycle REFMAC): MPCCD sets 0.184 -> 0.185 and 0.199 -> 0.196,
Rayonix identical, photon-resolving sets back on their rc178 numbers.
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
(cherry picked from commit da8dbfc8147354b63e375f2d9521dffb80938b6d)
The rc178 branch continued after #88 was squash-merged; this is its content from b9ada7914 (the tree
#88 squashed) to 094eee31a, as one change on main. The individual commits stay on the rc178 branch:
- still battery: --cold evicts each set's input from the page cache; Alvra pixel masks; manifest fixes
- AGIPD: converter to one rigid panel per module, int16 photons, mask folded in; still battery reads the converted sets
- DetectorModules: panel look-up by id, plane -> panel, plane bounds and a per-pixel walk; mask size checked
- tests: [PanelLayout] equivalence harness, stacked vs assembled panel layout
- Dense per-pixel maps through the panel table (panel layout stage 1)
- Panel id on spots and the panel table in the start message
- Viewer and preview show a panel detector as it lies on the detector plane
- Panel layout stage 3: per-panel spot finding (CPU+GPU, CCL) and raster algorithms on the plane raster
- Panel layout stage 2: prediction and Bragg integration through the panel table
- XTC reader: frames handed up as stored, streams indexed in parallel
- XFEL reader: integer frames stay integer, one gain, placement by panel
- EXTERNAL_TEST_DATA_STILLS.md: images used vs the entry for every set; drop "Not in the battery"
- still battery: EuXFEL sets read the depositors' Cheetah CXI files directly; AGIPD converter removed
- float32_to_int16.py: a non-finite pixel becomes -32768, the int16 error marker, not a zero count
- CrystFEL geometry: read the pixel masks and bad regions instead of ignoring them
- Panel layout stage 5: the XFEL reader hands up the stored frame and its panel table
- Panel table persisted in NXmx; modulation grid and pre-scan memo key on the plane
- still battery: Alvra sets take their pixel mask from the CrystFEL geometry, not --mask-good
- still battery: take the deposited model as mmCIF where the RCSB has no PDB-format file
- still battery: dimple gets PDB-format coordinates converted from an mmCIF-only deposition
- stills fixed cost: geometry refinement and pre-scan do the same work in less wall time
- stills geometry sample and trial spot finding run as many workers as the image pass
- Stills integration: background ring reach measured on empty apertures, radial curvature from the whole frame
- StillsPartialityRefine: the partiality width is the run's, measured on the crystals, not the prediction window's
- MergeOnTheFly: capture term and multiplicative outlier band for the stills merge (both opt-in)
- Stills given a cell: the written cell is the mean over the frames that are merged
- Stills: the radial curvature correction decided per run on the same empty apertures
- StillsPartialityRefine: measure the run width only on shells with signal
- Stills pre-scan: report the paired z of the radial-correction comparison
- module placement: the five concurrent fits each keep every thread
- still battery: score R-free against the deposited data through the same dimple protocol
- still battery: the R-free target is the lower of the deposition's dimple and published values
- Stills: background clip follows the radial curve; signal disk from the lattice spacing
- Stills keep an overloaded observation as a lower bound instead of dropping it
- Stills: drop the lattice-spacing signal disk; the correction decision back on the plain clip
- battery: R-free against the deposition without refinement only, one protocol for rotation and stills
- still battery: EuXFEL sets run on a 2,000-image subset for now
- stills geometry refinement: fit the detector distance and the cell together
- stills geometry refinement: a distance given with --detector-distance is held in the joint fit
- Metal integration engine: back to its panel-s5 kernels; Mac stills keep the old clip, no saturation count
- Metal integration test: the CPU comparison runs on a rotation experiment
- Stills: kept overloads go back to the drop where they are not concentrated at low resolution
- stills distance search: an absolute 30-3000 mm scan, a sample found without d-limits, the fit iterated
- battery results: XFEL still battery 20261022-1358 on rc178 0cf62452c - 12 sets, cold, R_free unrefined
- battery results: still summary gains the resolution of our merge and of the deposition
- Pre-scan masks a pixel at the saturation limit on most frames, as one holding the error value
- Stills keep an overload as a lower bound only where it has pixels at the limit; run-level gate removed
- XFEL reader: a per-frame mask is read the way the frames are, its chunk inflated outside the HDF5 lock
- stills distance search: every centre scanned with a wider acceptance, a larger sample where nothing indexes
- rugnux usage: --beam-center-check describes the absolute 30-3000 mm stills distance scan, not the old 60-160 % grid
- stills: detector tilt refined in the geometry pre-pass, kept where held-out frames agree
- CLAUDE.md: the changelog is written once, just before the merge into main - condensed one-liners of what users get
- broker: serve the placed model and its maps of the last rugnux live run (/rugnux/model.cif, /rugnux/map.ccp4)
- frontend: Mol* viewer of the placed model and its density on the Rugnux live page
- writer: _model.cif from rugnux live keeps the input model's metadata, as the served model.cif does
- rugnux live maps: one unit cell centred on the model; the viewer opens on all of it
- Anomalous difference map: ANOM/PHANOM in _maps.mtz, /rugnux/map.ccp4?type=anom, a magenta mesh in the viewer
- Mol* viewer: open with the maps drawn within 10 A of the centre of view
- Mol* viewer: aaredb's structure-viewer setup, on a black stage
- rugnux: the gain of a stills file that states none is read off its single-photon peak where the background resolves photons
- Mol* viewer: in line with AareDB's StructureView at its current head (8ece2c2)
- ACKNOWLEDGEMENT: the web frontend's Mol* viewer follows AareDB's setup (G. Gotthard, PSI)
- stills tilt decision: the modules stay where the run placed them
- still battery: no distance pins and no per-set tuning flags; gain from the data except where a file's baseline hides it
- battery results: rc178 6f6f69 - full still battery and full rotation battery with REFMAC
- Bragg integration: a CCD rotation sweep's sigmas at the measured gain, intensities in photons
- BackgroundGain: the gain of a frame that resolves photons is the spacing of its photon peaks, so a baseline left in the frame no longer hides it
- ShadowFinder: measure the background's azimuthal modulation instead of predicting it from the polarization
- BackgroundGain: one gain estimate for rotation and stills; the still battery no longer gives EuXFEL 152 its gain
- ShadowFinder: measure the modulation robustly under a wide one-sided shadow
- ShadowFinderTest: a one-sided shadow is not fitted as part of the background's modulation
- ShadowFinder: back to the predicted polarization factor, in the plane the background shows
- MXAnalysisAfterFPGA: the Bragg engine's edge mask in the image's layout, so raw / untransformed FPGA runs start again
- battery results: still battery on rc178 e54f55 replaces the earlier rc178 still tables
- XFELReader: per-frame mask and photon conversion without a library call or a branch per pixel
- stills geometry trial: the hypotheses a search asks are indexed side by side
- stills tilt decision: the fits start beside the pre-scan and the geometry trial
- XFELReader: a deflated frame is inflated and converted a piece at a time, while it is in the cache
- XFELReader: a byte-shuffled frame is unshuffled a piece at a time, a whole pixel per step
- GeometryRefiner: residuals carry only the blocks a fit moves; beam and distance one block
- GeometryRefiner: a spot's residual differentiates its observed and predicted halves apart
- docs: EXTERNAL_TEST_DATA lists every open-arm battery set, with corrected values and counts
- battery: doc_check.py cross-checks the manifests against the dataset pages
- stills module placement: the placement fit gets half the threads, each held-out fit an eighth
- still battery: the EuXFEL sets run on all their frames, as the published still runs did
- battery results: still battery on rc178 a0ce6c, cold on a quiet machine, replaces the earlier rc178 table
- macOS build: explicit size_t in the XFEL reader's row bounds; parentheses in the CPU preprocessor's select
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
leonarski_f
