leonarski_fandClaude Opus 5.5
2c97e654ed
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lcystine_x10sa_20keV and lcystine_x10sa_25keV are scored against the literature structure only (hexagonal L-cystine, P 61 2 2, COD 5000005, Oughton & Harrison 1959): XDS indexes under 10% of the spots of either sweep, with the cell supplied and with the spot range cut to 150 frames, so there is no CORRECT.LP to take a reference from. On the current build the 25 keV sweep passes (P 61 2 2, cell within 0.5%) and the 20 keV sweep finds no lattice. EXTERNAL_TEST_DATA.md: none of the open-arm datasets is pink beam; every PDB record is single-wavelength (9Q41 used a multilayer monochromator). The pink-beam sets are the in-house ones. Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>