leonarski_fandClaude Opus 5.5
dccbf8b1da
Writing the merged reflections - p.mtz, p.cif, p.hkl, ~250 MB for 4nwv - takes 5.3 s on the Windows laptop against 0.46 s on Linux. The mmCIF rows (twelve "%.4f" fields each) and the HKLF 4 records (two "%.2f") are formatted with snprintf, ~50 M calls for 4nwv; the likely Windows cost is the MSVC runtime's printf (slower float formatting, locale handling per call) - not measured there yet. Fmt and the HKLF 4 number now go through std::to_chars(fixed, precision) where the standard library has it for floating point (__cpp_lib_to_chars: libstdc++ 11+, MSVC); libc++ before macOS 13.3 does not, and keeps snprintf. The same digits: both round the exact binary value correctly, halfway cases to even. Checked against glibc on 20 M float-valued doubles at 4 and 2 decimals and on 8 M exact binary fractions (every tie), 0 differences. On this machine (gcc-toolset-13) 52 against 194 ns a field. p.hkl, the MTZ data and p.cif (apart from its provenance lines) byte-identical. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01PXc1zD1yxHqaR1DGdCTHL4
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.