leonarski_fandClaude Opus 5
0903a8eee3
Two things wrong with <prefix>_maps.mtz beside <prefix>.mtz. It took the space group from the MODEL, unconditionally. That was invisible while a model's hand was always adopted; now that a model decides nothing until it beats its own null, a rejected model that asserts the other enantiomorph leaves the two files disagreeing - the reflections in the group the data were merged in, the map coefficients labelled with the model's. An enantiomorphic pair indexes identically, so the coefficients are the same numbers either way and only the label moves, but the two groups have different screw translations: a reader that expands symmetry out of the map file was doing it in the wrong group. It now takes the group the same way AdoptModelFrame does a few lines below - the model's only where the hand was adopted, the data's otherwise. And it carried no wavelength at all, DWAVEL 0.00000 on both datasets, because nothing in ValidateAgainstModel knew it; it is now passed in from the experiment the two callers already hold. Measured on one rotation data set: with the model accepted both files read P 43 21 2, with an unrelated model rejected both read P 41 21 2, and both carry the collection wavelength. 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.