Electrostatic Potential of Chemical Compounds (EPOC)
Published February 11, 2026 | Version v1
Dataset Open

EPOC project SSimidazolidinone

Authors/Creators

  • 1. ROR icon Paul Scherrer Institute
  • 2. ROR icon University of Vienna

Description

Data from S-S-imidazolidinone collected as part of the EPOC project. Datasets are stored in HDF5 format. Each file starts with a 3-digit identifier. For every diffraction data set, the subdirectory XDS contains a subdirectory starting with the same ID, containing XDS.INP with experimental description. Datasets without corresponding XDS.INP are crystal images, usually of the preceding data collection.

Files

Files (43.4 GB)

Name Size Download all
md5:3e91fba95f986dc1c5f891bd31e7a2ff
43.4 GB Download

Additional details

Related works

Is supplemented by
Publication: 10.1088/1748-0221/20/12/C12007 (DOI)

Funding

Swiss National Science Foundation
Measuring the electrostatic potential of complex chemical compounds and functional materials by electron diffraction 215650
FWF Austrian Science Fund
Electrostatic potential through charge-integration I6546-N

Dates

Collected
2025-02-19

Software

Repository URL
https://github.com/epoc-ed/GUI/releases/tag/v2025.07.21
Programming language
Python
Development Status
Active

References