Published April 22, 2026
| Version v1
Dataset
Open
Resonant Scattering of a Br-oxo Single Crystal and Matlab Code for its Evaluation
Authors/Creators
- 1. Graz University of Technology
- 2. University of Brussels
Description
This dataset contains single crystal X-ray diffraction data of a Br-oxo single crystal measured at the XRD1 beamline Elettra Trieste. The single crystal was measured at eight different X-ray energies between 13.43 and 13.50 keV around the Br absorption edge. An additional dataset measured at 13.53 keV, as well as a second dataset measured at the starting energy 13.43 keV is available upon request (please contact roland.resel@tugraz.at). Additional to the measured raw data, MATLAB code is provided to open the measured data and extract integrated peak intensities, allowing to evaluate the influence of resonant scattering on measured peak intensities.
Files
AA_SD_Cry_5.zip
Files
(10.0 GB)
| Name | Size | Download all |
|---|---|---|
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md5:1832ce25f638a78b114b7db306c7219d
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10.0 GB | Preview Download |
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md5:1a261627092a9e3f813eec412a28872c
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5.4 MB | Preview Download |
Additional details
Related works
- Cites
- Publication: 10.1021/acs.cgd.6c00230 (DOI)
References
- Natan, Adi. "Fast 2D peak finder." MATLAB Central File Exchange. Available at https://www.mathworks.com/matlabcentral/fileexchange/37388-fast-2d-peak-finder (2021)
- Miur, J. Lewis. "Java crystallographic binary file". Available at https://imca-cat.org/~jlmuir/sw/jcbf.html (2014)
- Schrode, B. et al. GIDVis: a comprehensive software tool for geometry-independent grazing-incidence X-ray diffraction data analysis and pole-figure calculations. J. Appl. Cryst. 52, 683–689 (2019)