<resource xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://datacite.org/schema/kernel-4" xsi:schemaLocation="http://datacite.org/schema/kernel-4 http://schema.datacite.org/meta/kernel-4.1/metadata.xsd"><identifier identifierType="DOI">10.26165/JUELICH-DATA/V2XQ53</identifier><creators><creator><creatorName nameType="Personal">Krieger, Ina</creatorName><givenName>Ina</givenName><familyName>Krieger</familyName><nameIdentifier SchemeURI="https://orcid.org/" nameIdentifierScheme="ORCID">0009-0004-4785-6831</nameIdentifier><affiliation>Clausius-Institut für Physikalische und Theoretische Chemie, Universität Bonn, 53115 Bonn, Germany</affiliation></creator><creator><creatorName nameType="Personal">Sokolowski, Moritz</creatorName><givenName>Moritz</givenName><familyName>Sokolowski</familyName><nameIdentifier SchemeURI="https://orcid.org/" nameIdentifierScheme="ORCID">0000-0001-5991-3910</nameIdentifier><affiliation>Clausius-Institut für Physikalische und Theoretische Chemie, Universität Bonn, 53115 Bonn, Germany</affiliation></creator><creator><creatorName nameType="Personal">Haags, Anja</creatorName><givenName>Anja</givenName><familyName>Haags</familyName><nameIdentifier SchemeURI="https://orcid.org/" nameIdentifierScheme="ORCID">0000-0001-9117-8805</nameIdentifier><affiliation>Clausius-Institut für Physikalische und Theoretische Chemie, Universität Bonn, 53115 Bonn, Germany; Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany</affiliation></creator><creator><creatorName nameType="Personal">Bredow, Thomas</creatorName><givenName>Thomas</givenName><familyName>Bredow</familyName><nameIdentifier SchemeURI="https://orcid.org/" nameIdentifierScheme="ORCID">0000-0003-4077-5428</nameIdentifier><affiliation>Mulliken Center for Theoretical Chemistry, Clausius-Institut für Physikalische und Theoretische Chemie, Universität Bonn, 53115 Bonn, Germany</affiliation></creator><creator><creatorName nameType="Personal">Kumpf, Christian</creatorName><givenName>Christian</givenName><familyName>Kumpf</familyName><nameIdentifier SchemeURI="https://orcid.org/" nameIdentifierScheme="ORCID">0000-0003-3567-5377</nameIdentifier><affiliation>Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany</affiliation></creator><creator><creatorName nameType="Personal">Tautz, F. Stefan</creatorName><givenName>F. Stefan</givenName><familyName>Tautz</familyName><nameIdentifier SchemeURI="https://orcid.org/" nameIdentifierScheme="ORCID">0000-0003-3583-2379</nameIdentifier><affiliation>Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany</affiliation></creator><creator><creatorName nameType="Personal">Held, Georg</creatorName><givenName>Georg</givenName><familyName>Held</familyName><nameIdentifier SchemeURI="https://orcid.org/" nameIdentifierScheme="ORCID">0000-0003-0726-4183</nameIdentifier><affiliation>Diamond Light Source Ltd, Oxfordshire OX11 0DE</affiliation></creator></creators><titles><title>Data used in: Structure Analysis of PTCDA/Ag(100) by Low Energy Electron Diffraction and Density Functional Theory</title></titles><publisher>Jülich DATA</publisher><publicationYear>2026</publicationYear><subjects><subject>Physics</subject></subjects><contributors><contributor contributorType="ContactPerson"><contributorName nameType="Personal">Meier, Anja</contributorName><givenName>Anja</givenName><familyName>Meier</familyName><affiliation>Clausius-Institut für Physikalische und Theoretische Chemie, Universität Bonn, 53115 Bonn, Germany; Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany</affiliation></contributor></contributors><dates><date dateType="Submitted">2025-06-13</date><date dateType="Updated">2026-01-12</date></dates><resourceType resourceTypeGeneral="Dataset"/><sizes><size>3932</size><size>3920</size><size>3924</size><size>150016</size><size>101888</size><size>96768</size></sizes><formats><format>text/csv</format><format>text/csv</format><format>text/csv</format><format>application/x-tar</format><format>application/x-tar</format><format>application/x-tar</format></formats><version>1.0</version><rightsList><rights rightsURI="info:eu-repo/semantics/openAccess"/><rights/></rightsList><descriptions><description descriptionType="Abstract">We provide the Data and source files in Krieger et al., "Structure Analysis of PTCDA/Ag(100) by Low Energy Electron Diffraction and Density Functional Theory"</description></descriptions><geoLocations/></resource>