ROD
ROD is a program that can be used to do a refinement of a surface structure using surface X-ray diffraction data. All main features one encounters on surfaces, like roughness, relaxations, reconstructions and multiple domains, are taken into account. The most essential part of ROD is the calculation of the structure factor of the surface.
ROD is complemented by two utilities: ANA and AVE: ANA can be used to integrate scans and to convert these into structure factors, while AVE can sort and average data, determine agreement factors and produce a data file for the program ROD.
| Website | http://www.esrf.fr/computing/scientific/joint_projects/ANA-ROD/index.htm |
| Licenses | Other (Open) |
| Categories | Data analysis Crystallography Surface Crystallography |
| Software Requirements | - |
| Hardware Requirements | - | Platforms | Linux Windows |
| Languages | C |
| Input Formats | ASCII |
| Output Formats | ASCII |
| Contact email | data-analysis@esrf.fr |
| How-to | |
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Download the programs The three programs are installed on the central cluster and can be called via:
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| Documentation / Tutorials | |
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Manual available on the central cluster in: /sware/exp/anarod/doc/rodmanual.pdf /sware/exp/anarod/doc/anamanual.pdf Example datasets are listed in the manuals |
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| References | |
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Vlieg, E.: "ROD, a program for surface X-ray crystallography", Journal of Applied Crystallography, J. Appl. Cryst. 33 (2000) 401-405 |
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| Instruments | BM25B (ESRF) BM32 (ESRF) ID03 (ESRF) |
