leonarski_fandClaude Opus 5
0fed51f767
<prefix>_unmerged.mtz is what another scaling program needs - aimless, pointless, careless, iotbx.merging_statistics - and a run that did not ask for it up front had to be repeated to get it. It is now written on every run that has an output prefix, in --mode mx and --mode scale and with --no-merge, alongside the merged files and replacing none of them. --no-export-unmerged turns it off; --export-unmerged is still accepted and now does nothing. The summed form is the default one, as before: each rocking event's partials combined into one full, written at the batch its rocking curve is centred on. --export-unmerged-partials still additionally writes the unsummed <prefix>_unmerged_partials.mtz for a program that would rather sum them itself. Both write sites gated on the export flag alone and would have written a file called "_unmerged.mtz" when there was no output prefix. That could not happen while the export was opt-in and a prefix was implied by asking for it; with the export on by default it would fire on any prefix-less run. They now use the same guard the merged writes use. Verified on the rotation test dataset: written by default, by --mode scale and under --no-merge, absent with --no-export-unmerged. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_016WmryXe8ASbNi632sUMfsa
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.