Use the lab's confirmed XRD scan times and pattern column name #118
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Tufail Hassan confirmed (2026-10-12) 0.191 s per step for quick 0.02 deg scans and 1.41 s for long 0.015 deg scans, replacing 49 and 361.24. The pattern column is now "XRD pattern file", the output name on the lab's registered diffractometer. Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01Ve21T1az57p9vrmYj8vdNe
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Tufail Hassan confirmed the legacy XRD scan settings (email, 2026-10-12):
The pattern column is now "XRD pattern file", the output name on the lab's registered diffractometer (batch 1 had been renamed by hand).
Regenerating batch 1 changes only Time per Step and the column name; synthesis.csv is identical. The 38 batch-1 runs in production were already corrected to 0.191 s.
Tests:
python3 -m unittest scripts/legacy_xrd/test_convert_legacy_xrd.py(15 pass). Codex review: APPROVE.🤖 Generated with Claude Code
https://claude.ai/code/session_01Ve21T1az57p9vrmYj8vdNe