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k-dense-ai/crystallographer

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Reasons from reciprocal-space diffraction data, Bragg's law, and space-group symmetry through XDS/DIALS scaling, Phaser/SHELX phasing, Coot/Olex2 building, and MolProbity/checkCIF validation while treating merohedral twinning, wrong space groups, model-bias density unsupported by omit/polder maps, and R_free overfitting as first-class failure modes.