{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,31]],"date-time":"2026-10-31T01:32:03Z","timestamp":1793410323310,"version":"4.5.0"},"reference-count":52,"publisher":"International Union of Crystallography (IUCr)","issue":"6","license":[{"start":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T00:00:00Z","timestamp":1789948800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T00:00:00Z","timestamp":1789948800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"}],"funder":[{"name":"Stamps Scholars Foundation"},{"name":"Schmidt Science Foundation","id":[{"id":"https:\/\/ror.org\/044fk6795","id-type":"ROR","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/S024050\/1"],"award-info":[{"award-number":["EP\/S024050\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/W522120\/1"],"award-info":[{"award-number":["EP\/W522120\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/R008779\/1"],"award-info":[{"award-number":["EP\/R008779\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Queen's College, Cambridge","id":[{"id":"https:\/\/ror.org\/00839we02","id-type":"ROR","asserted-by":"crossref"}]}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr A Found Adv","Acta Crystallogr A","Acta Crystallogr A Found Crystallogr","Acta Cryst A","Acta Cryst A Found Adv","Acta Cryst Sect A","Acta Cryst Sect A Found Adv","Acta Crystallogr Sect A","Acta Crystallogr Sect A Found Adv","Acta Crystallogr Sect A Found Crystallogr"],"accepted":{"date-parts":[[2026,9,9]]},"published-print":{"date-parts":[[2026,11,1]]},"abstract":"<jats:p>\n                    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\n                    <jats:italic>t<\/jats:italic>\n                    \/\u03be\n                    <jats:sub>\n                      <jats:bold>g<\/jats:bold>\n                    <\/jats:sub>\n                    \u226a 1 reflections follow a uniform exponential decay set by the mean absorptive potential\n                    <jats:italic>U<\/jats:italic>\n                    <jats:sub>0<\/jats:sub>\n                    \u2032. Many-beam simulations of both centrosymmetric and non-centrosymmetric crystals reveal additional reflection-specific anomalous absorption beyond the uniform attenuation set by\n                    <jats:italic>U<\/jats:italic>\n                    <jats:sub>0<\/jats:sub>\n                    \u2032. 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 CsPbBr\n                    <jats:sub>3<\/jats:sub>\n                    , quartz and borane, with the inclusion of absorption yielding an improvement in\n                    <jats:italic>R<\/jats:italic>\n                    <jats:sub>obs<\/jats:sub>\n                    from 6.4 to 5.3% for CsPbBr\n                    <jats:sub>3<\/jats:sub>\n                    , and negligible improvements for quartz and borane. Anomalous absorption may therefore be ignored for routine refinement of integrated intensities except in high-\n                    <jats:italic>Z<\/jats:italic>\n                    materials at thicknesses approaching \u03be\n                    <jats:sub>\n                      <jats:bold>g<\/jats:bold>\n                    <\/jats:sub>\n                    .\n                  <\/jats:p>","DOI":"10.1107\/s2053273326009459","type":"journal-article","created":{"date-parts":[[2026,9,14]],"date-time":"2026-09-14T14:37:52Z","timestamp":1789396672000},"page":"409-418","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":1,"title":["The role of absorption in 3D electron diffraction dynamical structure refinement"],"prefix":"10.1107","volume":"82","author":[{"ORCID":"https:\/\/orcid.org\/0009-0006-8246-7078","authenticated-orcid":true,"given":"Benjamin","family":"Colmey","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1150-4012","authenticated-orcid":true,"given":"Tiarnan A.S.","family":"Doherty","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1544-3050","authenticated-orcid":true,"given":"Shreshth A.","family":"Malik","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6817-458X","authenticated-orcid":true,"given":"Paul A.","family":"Midgley","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2026,9,21]]},"reference":[{"key":"lu5052_bb14","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1063\/1.1751537","volume":"10","author":"Albrecht","year":"1939","journal-title":"Rev. Sci. Instrum."},{"key":"lu5052_bb38","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1016\/j.ultramic.2014.10.011","volume":"151","author":"Allen","year":"2015","journal-title":"Ultramicroscopy"},{"key":"lu5052_bb31","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1002\/andp.19283921704","volume":"392","author":"Bethe","year":"1928","journal-title":"Annalen Phys."},{"key":"lu5052_bb45","doi-asserted-by":"crossref","first-page":"208","DOI":"10.1107\/S0108767389011918","volume":"46","author":"Bird","year":"1990","journal-title":"Acta Cryst. A"},{"key":"lu5052_bb33","doi-asserted-by":"crossref","first-page":"202","DOI":"10.1107\/S0108767389011906","volume":"46","author":"Bird","year":"1990","journal-title":"Acta Cryst. A"},{"key":"lu5052_bb18","doi-asserted-by":"crossref","first-page":"241","DOI":"10.1016\/0304-3991(92)90512-I","volume":"45","author":"Bird","year":"1992","journal-title":"Ultramicroscopy"},{"key":"lu5052_bb23","doi-asserted-by":"crossref","first-page":"68","DOI":"10.1098\/rspa.1939.0129","volume":"173","author":"Blackman","year":"1939","journal-title":"Proc. R. Soc. London Ser. A"},{"key":"lu5052_bb53","doi-asserted-by":"crossref","first-page":"667","DOI":"10.1126\/science.aaw2560","volume":"364","author":"Br\u00e1zda","year":"2019","journal-title":"Science"},{"key":"lu5052_bb12","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1524\/zkri.2013.1565","volume":"228","author":"Eggeman","year":"2013","journal-title":"Z. Kristallogr. - Cryst. Mater."},{"key":"lu5052_bb2","doi-asserted-by":"crossref","first-page":"1315","DOI":"10.1021\/acscentsci.9b00394","volume":"5","author":"Gemmi","year":"2019","journal-title":"ACS Cent. Sci."},{"key":"lu5052_bb90","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1524\/zkri.2013.1559","volume":"228","author":"Gemmi","year":"2013","journal-title":"Z. Kristallogr. - Cryst. Mater."},{"key":"lu5052_bb24","doi-asserted-by":"crossref","first-page":"80","DOI":"10.1098\/rspa.1962.0164","volume":"269","author":"Hashimoto","year":"1962","journal-title":"Proc. R. Soc. London Ser. A"},{"key":"lu5052_bb43","unstructured":"Hirsch, P. B., Howie, A., Nicholson, R. B., Pashley, D. W. & Whelan, M. J. (1965). Electron Microscopy of Thin Crystals. London: Butterworths."},{"key":"lu5052_bb48","doi-asserted-by":"crossref","first-page":"024514","DOI":"10.1103\/PhysRevB.90.024514","volume":"90","author":"Holmes","year":"2014","journal-title":"Phys. Rev. B"},{"key":"lu5052_bb13","first-page":"115","volume":"18","author":"Humphreys","year":"1968","journal-title":"Philos. Mag. A J. Theor. Exp. Appl. Phys."},{"key":"lu5052_bb26","doi-asserted-by":"crossref","first-page":"165","DOI":"10.1016\/j.ultramic.2003.08.010","volume":"98","author":"Jansen","year":"2004","journal-title":"Ultramicroscopy"},{"key":"lu5052_bb36","doi-asserted-by":"crossref","first-page":"237","DOI":"10.1016\/0304-3991(91)90075-H","volume":"35","author":"Jordan","year":"1991","journal-title":"Ultramicroscopy"},{"key":"lu5052_bb28","doi-asserted-by":"crossref","first-page":"273","DOI":"10.1093\/jmicro\/dfq006","volume":"59","author":"Kim","year":"2010","journal-title":"J. Electron Microsc."},{"key":"lu5052_bb50","doi-asserted-by":"crossref","first-page":"848","DOI":"10.1038\/s41557-023-01186-1","volume":"15","author":"Klar","year":"2023","journal-title":"Nat. Chem."},{"key":"lu5052_bb30","doi-asserted-by":"crossref","first-page":"523","DOI":"10.1107\/S2052520619009661","volume":"75","author":"Latychevskaia","year":"2019","journal-title":"Acta Cryst. B"},{"key":"lu5052_bb17","doi-asserted-by":"crossref","first-page":"744","DOI":"10.1107\/S2052252524008121","volume":"11","author":"Leung","year":"2024","journal-title":"IUCrJ"},{"key":"lu5052_bb8","doi-asserted-by":"crossref","first-page":"5056","DOI":"10.1038\/s41467-026-71673-9","volume":"17","author":"Malik","year":"2026","journal-title":"Nat. Commun."},{"key":"lu5052_bb46","doi-asserted-by":"crossref","first-page":"257","DOI":"10.1107\/S0108767387011656","volume":"44","author":"McIntyre","year":"1988","journal-title":"Acta Cryst. A"},{"key":"lu5052_bb40","doi-asserted-by":"crossref","first-page":"113","DOI":"10.1107\/S2053273325000142","volume":"81","author":"Mendis","year":"2025","journal-title":"Acta Cryst. A"},{"key":"lu5052_bb20","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0304-3991(95)00014-R","volume":"59","author":"Midgley","year":"1995","journal-title":"Ultramicroscopy"},{"key":"lu5052_bb22","doi-asserted-by":"crossref","first-page":"1665","DOI":"10.1107\/S160057672500545X","volume":"58","author":"Nakashima","year":"2025","journal-title":"J. Appl. Cryst."},{"key":"lu5052_bb6","doi-asserted-by":"crossref","first-page":"309","DOI":"10.1107\/S2052252524001763","volume":"11","author":"Olech","year":"2024","journal-title":"IUCrJ"},{"key":"lu5052_bb44","unstructured":"Own, C. S.-Y. (2005). PhD thesis. Northwestern University, USA."},{"key":"lu5052_bb49","unstructured":"Palatinus, L. (2011). PETS: Program for Analysis of Electron Diffraction Data. Institute of Physics, AS CR Prague, Czechia."},{"key":"lu5052_bb91","doi-asserted-by":"crossref","first-page":"166","DOI":"10.1126\/science.aak9652","volume":"355","author":"Palatinus","year":"2017","journal-title":"Science"},{"key":"lu5052_bb51","doi-asserted-by":"crossref","first-page":"512","DOI":"10.1107\/S2052520619007534","volume":"75","author":"Palatinus","year":"2019","journal-title":"Acta Cryst. B"},{"key":"lu5052_bb3","doi-asserted-by":"crossref","first-page":"740","DOI":"10.1107\/S2052520615017023","volume":"71","author":"Palatinus","year":"2015","journal-title":"Acta Cryst. B"},{"key":"lu5052_bb11","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1107\/S010876731204946X","volume":"69","author":"Palatinus","year":"2013","journal-title":"Acta Cryst. A"},{"key":"lu5052_bb4","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1107\/S2053273315001266","volume":"71","author":"Palatinus","year":"2015","journal-title":"Acta Cryst. A"},{"key":"lu5052_bb37","doi-asserted-by":"crossref","first-page":"663","DOI":"10.1107\/S0108767397005990","volume":"53","author":"Peng","year":"1997","journal-title":"Acta Cryst. A"},{"key":"lu5052_bb5","doi-asserted-by":"crossref","first-page":"271","DOI":"10.1515\/zkri-2023-0005","volume":"238","author":"Pet\u0159i\u010dek","year":"2023","journal-title":"Z. Kristallogr. - Cryst. Mater."},{"key":"lu5052_bb42","doi-asserted-by":"crossref","first-page":"481","DOI":"10.1107\/S0108767393013200","volume":"50","author":"Rez","year":"1994","journal-title":"Acta Cryst. A"},{"key":"lu5052_bb10","doi-asserted-by":"crossref","first-page":"13883","DOI":"10.1021\/acs.chemrev.1c00879","volume":"122","author":"Saha","year":"2022","journal-title":"Chem. Rev."},{"key":"lu5052_bb16","doi-asserted-by":"crossref","first-page":"410","DOI":"10.1107\/S2056989023003109","volume":"79","author":"Simoncic","year":"2023","journal-title":"Acta Cryst. E"},{"key":"lu5052_bb41","doi-asserted-by":"crossref","unstructured":"Spence, J. C. H. & Zuo, J. M. (1992). Electron Microdiffraction. Springer US.","DOI":"10.1007\/978-1-4899-2353-0"},{"key":"lu5052_bb7","doi-asserted-by":"crossref","first-page":"9066","DOI":"10.1038\/s41467-024-53448-2","volume":"15","author":"Suresh","year":"2024","journal-title":"Nat. Commun."},{"key":"lu5052_bb9","doi-asserted-by":"crossref","first-page":"146","DOI":"10.1107\/S2053273323010963","volume":"80","author":"Thomas","year":"2024","journal-title":"Acta Cryst. A"},{"key":"lu5052_bb15","doi-asserted-by":"crossref","first-page":"236","DOI":"10.1107\/S2053273315022500","volume":"72","author":"van Genderen","year":"2016","journal-title":"Acta Cryst. A"},{"key":"lu5052_bb1","doi-asserted-by":"crossref","first-page":"271","DOI":"10.1016\/0304-3991(94)90039-6","volume":"53","author":"Vincent","year":"1994","journal-title":"Ultramicroscopy"},{"key":"lu5052_bb25","doi-asserted-by":"crossref","first-page":"674","DOI":"10.1107\/S0108767392002897","volume":"48","author":"Wang","year":"1992","journal-title":"Acta Cryst. A"},{"key":"lu5052_bb35","doi-asserted-by":"crossref","unstructured":"Wang, Z. L. (1995). Elastic and Inelastic Scattering in Electron Diffraction and Imaging. New York: Plenum Press.","DOI":"10.1007\/978-1-4899-1579-5"},{"key":"lu5052_bb39","doi-asserted-by":"crossref","first-page":"16","DOI":"10.1016\/j.ultramic.2013.05.018","volume":"135","author":"Yamazaki","year":"2013","journal-title":"Ultramicroscopy"},{"key":"lu5052_bb27","doi-asserted-by":"crossref","first-page":"1583","DOI":"10.1107\/S1600576722009633","volume":"55","author":"Yang","year":"2022","journal-title":"J. Appl. Cryst."},{"key":"lu5052_bb32","doi-asserted-by":"crossref","first-page":"618","DOI":"10.1143\/JPSJ.12.618","volume":"12","author":"Yoshioka","year":"1957","journal-title":"J. Phys. Soc. Jpn"},{"key":"lu5052_bb47","doi-asserted-by":"crossref","first-page":"94","DOI":"10.1524\/zkri.2010.1202","volume":"225","author":"Zhang","year":"2010","journal-title":"Z. Kristallogr."},{"key":"lu5052_bb21","doi-asserted-by":"crossref","first-page":"49","DOI":"10.1038\/43403","volume":"401","author":"Zuo","year":"1999","journal-title":"Nature"},{"key":"lu5052_bb19","doi-asserted-by":"crossref","first-page":"185","DOI":"10.1016\/0304-3991(91)90071-D","volume":"35","author":"Zuo","year":"1991","journal-title":"Ultramicroscopy"}],"container-title":["Acta Crystallographica Section A Foundations and Advances"],"original-title":[],"link":[{"URL":"https:\/\/journals.iucr.org\/a\/issues\/2026\/06\/00\/lu5052\/lu5052.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/journals.iucr.org\/a\/issues\/2026\/06\/00\/lu5052\/lu5052.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,30]],"date-time":"2026-10-30T08:47:02Z","timestamp":1793350022000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2053273326009459"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,9,21]]},"references-count":52,"journal-issue":{"issue":"6","published-online":{"date-parts":[[2026,11]]}},"alternative-id":["S2053273326009459"],"URL":"https:\/\/doi.org\/10.1107\/s2053273326009459","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S2053273326009459\/lu5052sup1.pdf","asserted-by":"subject"}]},"ISSN":["2053-2733"],"issn-type":[{"value":"2053-2733","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,9,21]]},"assertion":[{"value":"Acta Crystallographica Section A: Foundations and Advances","order":0,"name":"journal","label":"Publication","explanation":{"URL":"https:\/\/journals.iucr.org\/a"},"group":{"name":"general","label":"General"}},{"value":"research papers","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/a\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"https:\/\/scripts.iucr.org\/cgi-bin\/citedin?lu5052","order":2,"name":"article_metrics","label":"Article metrics","group":{"name":"general","label":"General"}},{"value":"Yes","order":0,"name":"peer_reviewed","label":"Peer reviewed","group":{"name":"peer_review","label":"Peer review"}},{"value":"Single blind","order":1,"name":"review_process","label":"Review process","group":{"name":"peer_review","label":"Peer review"}},{"value":"10 February 2026","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"9 September 2026","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"21 September 2026","order":2,"name":"published_online","label":"Published online","group":{"name":"publication_history","label":"Publication history"}},{"value":"This article has supporting information","name":"supplementary_materials","label":"Supplementary materials","explanation":{"URL":"https:\/\/scripts.iucr.org\/cgi-bin\/sendsup?lu5052"}},{"value":"\u00a9 2026 Benjamin Colmey\n                      et al.","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}},{"value":"Creative Commons Attribution (CC-BY)","order":1,"name":"license","label":"Licence","explanation":{"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}}]}}