{
  "abstract": "The role of absorption in 3D electron diffraction is established through analytical theory, simulation and dynamical refinement. A two-beam expression for the absorbed integrated intensity in centrosymmetric crystals is derived, showing that for t/ξg ≪ 1 reflections follow a uniform exponential decay set by the mean absorptive potential U0′. Many-beam simulations of both centrosymmetric and non-centrosymmetric crystals reveal additional reflection-specific anomalous absorption beyond the uniform attenuation set by U0′. Neglecting these effects in dynamical refinement of integrated intensities incurs an error that increases approximately linearly with thickness, with this error becoming more severe near zone axes. Dynamical refinements were performed on CsPbBr3, quartz and borane, with the inclusion of absorption yielding an improvement in Robs from 6.4 to 5.3% for CsPbBr3, and negligible improvements for quartz and borane. Anomalous absorption may therefore be ignored for routine refinement of integrated intensities except in high-Z materials at thicknesses approaching ξg.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge, CB3 0FS, United Kingdom",
    "OATML, Department of Computer Science, University of Oxford, Wolfson Building, Parks Road, Oxford, OX1 3QG, United Kingdom"
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 4,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Benjamin Colmey",
      "orcid": "0009-0006-8246-7078"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Tiarnan A.S. Doherty",
      "orcid": "0000-0003-1150-4012"
    },
    {
      "affs": [
        1
      ],
      "name": "Shreshth A. Malik",
      "orcid": "0000-0003-1544-3050"
    },
    {
      "affs": [
        0
      ],
      "name": "Paul A. Midgley",
      "orcid": "0000-0002-6817-458X"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/5qpfzz3gc2w9h.bib",
  "cited_by": 0,
  "doi": "10.1107/s2053273326009459",
  "fulltext_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13720707/",
  "id": "5qpfzz3gc2w9h",
  "issns": [
    "2053-2733"
  ],
  "landing_url": "https://doi.org/10.1107/s2053273326009459",
  "language": "en",
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "heading",
      "Research Papers"
    ],
    [
      "openalex",
      "1315|Advanced Electron Microscopy Techniques and Applications"
    ]
  ],
  "openalex": "W7213906903",
  "pdf_url": null,
  "pmcid": "PMC13720707",
  "pmid": "42765159",
  "published": "2026-09-21",
  "publisher": "International Union of Crystallography",
  "ris": "https://research.draconitic.com/paper/5qpfzz3gc2w9h.ris",
  "sources": [
    {
      "first_seen": "2026-11-03T12:21:32Z",
      "native_id": "PMC13720707",
      "source": "pmc",
      "url": "https://doi.org/10.1107/s2053273326009459"
    }
  ],
  "subjects": [
    {
      "field": "biochemistry",
      "origin": "openalex:1315|Advanced Electron Microscopy Techniques and Applications",
      "subfield": "structural-biology"
    }
  ],
  "title": "The role of absorption in 3D electron diffraction dynamical structure refinement",
  "title_text": "The role of absorption in 3D electron diffraction dynamical structure refinement",
  "type": "peer-reviewed",
  "updated_at": "2026-11-03T12:21:32Z",
  "url": "https://research.draconitic.com/paper/5qpfzz3gc2w9h",
  "venue": "Acta Crystallographica Section A: Foundations and Advances",
  "versions": []
}