Jungfraujoch is developed at one facility, so the reader and the reduction
pipeline are exercised on data collected elsewhere - other detectors, other
file formats, other conventions. That data was collected and published by
other people, and until now nothing in the repository said so.
NON_SLS_TEST_DATA lists all 51 datasets: the DOI to cite for each, the
repository it came from, and the experiment as deposited. Beamline,
resolution, space group and cell are the values deposited with the
corresponding PDB entry, read from the RCSB data API - not results measured
here; no quantity produced by this software appears on the page. The detector
is read out of the image file instead, because the detector named in a PDB
entry is often only approximate, and the twelve cases where the two disagree
are listed rather than silently reconciled.
ACKNOWLEDGEMENT gains a section for the repositories themselves, with the
IRRMC, SBGrid and Zenodo citations and the PDB citation for the metadata.
Every DOI on both pages was resolved before it was written down.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01Lc5JG6kJqZoCWaoZ43JGTW
leonarski_fandClaude Opus 5
9d3c2787f8
