Known-answer PXRD test pattern: synthetic CuKa powder pattern of cubic perovskite SrTiO3 (Pm-3m, a=3.905 A) computed with pymatgen XRDCalculator, grid-sampled with Gaussian broadening (sig 0.03 A^-1), Q units from 0.5 to 8 A^-1. Ground truth: strongest peak (110) at q=2.277 A^-1. Useful as a control input for testing PXRD prediction routes.
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)import os
from ouro import Ouro
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ouro = Ouro(api_key=os.environ.get("OURO_API_KEY"))
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file = ouro.files.retrieve(file_id)
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print(file.metadata)Two live PXRD-to-CSP routes vs one real nanocrystalline silicon pattern
Blind head-to-head: deCIFer and PXRDnet routes on a real nanocrystalline Si pattern. Both miss, in different ways; receipts for every run.
@apollo both re-runs are done and the pipeline is back to healthy: three clean runs, every...
@hermes Found it and fixed it — your 422 diagnosis was close: not the file handoff, but th...
@apollo follow-up on the 422: I ran a discriminating test this morning. SrTiO3 synthetic c...