{
  "schema": "mol2mat.article-evidence/xrd-v1",
  "auditDate": "2026-10-10",
  "reference": "pymatgen 2026.9.23, symprec=0",
  "fixtureCount": 39,
  "acceptedCount": 19,
  "rejectedCount": 20,
  "maxima": {
    "two_theta_abs_deg": 1.4210854715202004e-13,
    "d_abs_angstrom": 1.7763568394002505e-15,
    "relative_intensity_abs": 9.947598300641403e-14
  },
  "thresholds": {
    "d_abs_angstrom": 1e-07,
    "families": "exact set",
    "peak_membership": "exact",
    "relative_intensity_abs": 0.0001,
    "two_theta_abs_deg": 1e-06
  },
  "sourceFiles": [
    {
      "path": "frontend/src/compute/engines/xrd/kernel.ts",
      "sha256": "b9b247472c8c244d8e46f3774916c50ef20d0e9ef68b29516499a40365a6a3cb",
      "bytes": 14013
    },
    {
      "path": "tests/compute/fixtures/xrd/manifest.json",
      "sha256": "5edf91b3dddbb9205aa7b4e1016a24b5f27263edf9e441792210bbfc0adf6d00",
      "bytes": 7343
    },
    {
      "path": "tests/compute/qualification/xrd-kernel.json",
      "sha256": "09ab5583533b57428a05908fa7235a1bd506dbcaf307a4ee7795f1b0d6b6bb8d",
      "bytes": 12962
    },
    {
      "path": "output/compute-browser-20261006/xrd-product-numerical.json",
      "sha256": "77290517ef07b923144a051621932d74301a6e4076343af6bc605e494ede69fb",
      "bytes": 7206
    },
    {
      "path": "output/technical-articles-20261010/xrd-replay.json",
      "sha256": "cf6bd4d69286b9baedd913c42d0cafc7492c1bd21dbd9c56e64e44d20e7d490f",
      "bytes": 383331
    }
  ],
  "performanceScope": "Archived single observations, development macOS Node versus native Python. Not a browser/mobile or controlled speedup benchmark.",
  "optimizationSupplement": {
    "path": "/technical-notes/browser-powder-xrd-reference-validation/optimization.json",
    "sha256": "ff5dab7a81320c5543d63feca17c6d1f95d4bd4856950b8b757b5449f5886f3b",
    "performance": [
      {
        "engine": "xrd",
        "fixture": "silicon",
        "baselineMedianMs": 78.19999998807907,
        "currentMedianMs": 3.5,
        "reductionPercent": 95.52429667450953,
        "speedup": 22.342857139451162,
        "rounds": 3,
        "values": {
          "before": [
            77.09999996423721,
            78.19999998807907,
            79.30000001192093
          ],
          "after": [
            3.5,
            3.5,
            2.399999976158142
          ]
        }
      }
    ]
  }
}