leonarski_fandClaude Opus 5.5
1629b47eae
The stills distance grid spanned 60-160 % of the file's value, so where it looked depended on the value it was checking: a Cheetah file stating 839 mm for a detector at about 106 mm left every grid point empty and the run had to be given the distance. The search is now global first and local after, like the beam centre's capture and walk: - a scan over 30-3000 mm in 2.5 % steps (the peak's width) at one centre that does not depend on the file (the background's, else the capture's), on the 8 frames with most spots; - its three strongest local maxima, a step either side, at every centre hypothesis on 32 frames; then the fine +-2 % step on the whole sample, which decides against the file's value with the rule as before. This replaces the relative grid run at every centre, and costs fewer trials than it did. The geometry sample is found without the spot finder's resolution limits, which are d-spacings evaluated at the distance being checked, and spots piled up at one radius (ice and other powder rings) are left out by their radius in mm. Where the decision moves the distance by more than 5 % the sample is found again there and the fine step asked again. A --detector-distance on stills is a hard pin: not searched, and held by the joint fit (the cell alone is refined). Without one, the file's value is a hypothesis against the search's best, kept unless that puts materially more spots on the lattice. An XTC that states no distance now runs with -C: the search decides it, and the first refinement, which would start from a placeholder, is skipped. The joint distance+cell fit indexed its bundle at the geometry it started from, so its end point carried the start (0.2 % apart from two starts a percent apart). Where it moves the distance by more than 0.3 % (and no modules are being placed) the bundle's frames are indexed again at the fitted geometry and fitted again, up to three times, until the distance moves by less than 0.05 %. From 839, 50 and 300 mm a Rayonix set ends at 106.24, 106.23 and 106.22 mm; an XTC set run with no distance ends at 193.41 mm against the 193.43 it is otherwise given. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
Jungfraujoch
Application to receive and analyse data from the PSI JUNGFRAU and EIGER detectors, together with
rugnux, its program for processing stored diffraction data - rotation and serial, macromolecular
and small-molecule - from images to merged reflections.
All documentation is now placed in docs/ subdirectory and for the current version hosted on Jungfraujoch Read The Docs page.