leonarski_f
a78bfe951d
`rugnux <images> <model> <reflections>` in any order, without --model or -z. Each positional file is classified by its contents (RugnuxInputKind.h, in JFJochRugnuxOutput - the library still reads no files): an MTZ (magic) or an mmCIF with a _refln / _diffrn_refln loop is reference data (-z; the input itself in --mode refine), a PDB file (a PDB record first, then ATOM/HETATM) or an mmCIF with an _atom_site loop is a model (--model), anything else is images for the readers. CBF (###CBF or _array_data) counts as images; a file whose first line is neither data_ nor a PDB record is decided there, so image files are not read through. An mmCIF holding both atoms and reflections is refused as ambiguous. At most one model and one reference, --model/--mr and -z included. Gzip read through. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu (cherry picked from commit 8f844b0bf86f338d20e8aed426a387722dd8d7cc)
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.