leonarski_fandClaude Opus 5
adf87e8675
The mmCIF's _reflns.jfjoch_diffrn_ISa carried the strong-reflection asymptote, a tier XDS has no equivalent of, while the name invites comparison with XDS's ISa - which is the whole-range 1/sqrt(a*b). rugnux_vs_xds.py reads that item for the battery's ISa column, so the comparison that column exists to make was between two different quantities, flattering rugnux by the difference between the tiers. Write the whole-range value there, move the asymptote to _reflns.jfjoch_diffrn_ISa_asymptotic, and add _reflns.jfjoch_error_model_a and _b in XDS's convention so the number can be re-derived from the file rather than taken on trust. On a broadband rotation dataset the battery column now reads 13.25 against XDS's 21.18 where it read 15.6 before, and the two error models can be compared term by term for the first time: a 1.538 vs 1.249 and b 3.71e-03 vs 1.78e-03, so the gap is in BOTH the counting and the systematic term (1.23x and 2.08x, and sqrt(1.23*2.08) = 1.60 = 21.18/13.25). This is a deliberate redefinition of an exported item, not an addition: a file written by an earlier version carries the asymptote under the old name and there is no version marker to tell them apart. Noted in the changelog and in docs/CPU_DATA_ANALYSIS.md. Nothing reads the item back into the pipeline - it is written and never parsed by rugnux itself - so no stored file is reinterpreted in a way that changes a result. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
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.