Data used in: Structure Analysis of PTCDA/Ag(100) by Low Energy Electron Diffraction and Density Functional Theorydoi:10.26165/JUELICH-DATA/V2XQ53Jülich DATA2026-01-121Krieger, Ina; Sokolowski, Moritz; Haags, Anja; Bredow, Thomas; Kumpf, Christian; Tautz, F. Stefan; Held, Georg, 2026, "Data used in: Structure Analysis of PTCDA/Ag(100) by Low Energy Electron Diffraction and Density Functional Theory", https://doi.org/10.26165/JUELICH-DATA/V2XQ53, Jülich DATA, V1Data used in: Structure Analysis of PTCDA/Ag(100) by Low Energy Electron Diffraction and Density Functional Theorydoi:10.26165/JUELICH-DATA/V2XQ53Krieger, InaSokolowski, MoritzHaags, AnjaBredow, ThomasKumpf, ChristianTautz, F. StefanHeld, GeorgJülich DATAMeier, AnjaMeier, Anja2025-06-13PhysicsWe 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"Ag5-down_pmin_sr33_bulk_corr2.csvxyz file for down configurationtext/csvAg5-up_pmin_sr33_nbulk_corr2.csvxyz file for up configurationtext/csvAg5-vacancy_pmin_sr35_bulk_corr2.csvxyz file for vacancy modeltext/csvtheta0.tarExperimental (*.xxe) and theoretical (*.xxt) LEED-IV curves with nominal incidence angle of 0 degrees. application/x-tartheta10.tarExperimental (*.xxe) and theoretical (*.xxt) LEED-IV curves with nominal incidence angle of 10 degrees. application/x-tartheta5.tarExperimental (*.xxe) and theoretical (*.xxt) LEED-IV curves with nominal incidence angle of 5 degrees. application/x-tar