Remove sample identities from the repository; document the rule
Datasets may be confidential; sample names and measured unit cells committed to the repo can leak outside the group working on them. Scrub existing occurrences and add a "No sample identities in the repository" section to CLAUDE.md (forbidden: sample/dataset names, internal codes, measured cells tied to a sample; fine: space group / lattice / twinning descriptors). - Comments: replace internal dataset codes and protein names with the crystallographic situation they illustrate (centred vs pseudo-symmetric, holohedral, cubic, F-cubic/hexagonal, ...). - Docs: same, in the analysis/writer/stream references and example configs. - Tests: rename sample-named identifiers, TEST_CASE names, file prefixes and asserted labels to neutral crystallographic names (e.g. tetragonal_uc); behaviour unchanged. Reduce the CrystFEL reference PDB to a bare CRYST1 cell file (cell.pdb) and rename the reference data file. Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
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@@ -17,10 +17,10 @@ start_input = {
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"beam_y_pxl":1136,
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"detector_distance_mm":75,
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"incident_energy_keV":12.4,
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"sample_name":"lyso",
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"sample_name":"test_sample",
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"unit_cell":{"a":36.9, "b":78.95, "c":78.95, "alpha":90, "beta":90, "gamma":90},
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"images_per_trigger":18,
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"file_prefix":"lyso_test_grid",
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"file_prefix":"test_grid",
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"grid_scan": {
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"n_fast":3,
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"step_x_um": 5.0,
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