leonarski_fandClaude Opus 5
df4be47c84
The beam-centre check indexes a second first pass at the measured centre and, where the two centres return cells related by an integer volume factor, says so and decides nothing. That abstention is right in general - the validation frame count leans to the sub-cell, since a cell twice as long must place every spot twice as accurately to score the same - but it leaves one direction unrecoverable. Where the MEASURED centre holds the LARGER cell, the run starts on the sub-cell and stays there: the second pass re-finds the larger cell at the refined geometry and its supercell guard refuses it for being larger than pass 1's. The run then merges a halved axis at full indexing rate, with good merging statistics and nothing to say it is wrong. Decide that one direction, on the pooled spots rather than on the frames: the excess each lattice puts on itself over its own wrong-spindle null, which is the measurement the failed-pass branch of the same check already adopts a centre on, and the one statistic that does not credit a denser lattice for accidental hits. The opposite direction is deliberately left alone - a second pass is free to drop to the smaller cell and does, on every corpus crystal that reaches this branch that way. Measured on a tetragonal crystal whose header centre is 3.6 px out across the spindle, more than the geometry absorbs: the file's centre gives a halved a axis (43/60 frames, 25.4% of the pooled spots on the lattice) and the measured one the deposited cell (60/60, 43.3%). Before, the run merged the halved cell and the deposited model refined to R-free 0.575; after, it merges the deposited lattice to 1.62 A with R-free 0.254 against the deposition's 0.203. Five other corpus crystals reach the same branch with the measured centre on the SMALLER cell; all five are unchanged (space group, cell and R-free identical), as are two crystals whose halved or doubled axis comes from elsewhere. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_013nW6FNRP1bBJJ8pfHiByAT
Jungfraujoch
Application to receive data from the PSI JUNGFRAU and EIGER detectors.
All documentation is now placed in docs/ subdirectory and for the current version hosted on Jungfraujoch Read The Docs page.