Scientific Software
last modified
17-11-2009 17:26
The Scientific Software Group is in charge of maintaining and developing scientific software for the ESRF.
The functions are very wide, going from the development of long-term projects to day-to-day consulting and troubleshooting. The ESRF staff and visitors are free to contact us for any problem or question concerning scientific software. The most efficient way to get quick help is to use the SciSoft mailing list (available on-site only).
Objectives:
- Implementation of new software
- Support of existing software
- Wide-scale search of relevant application programs
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Software expertise in:
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Off-line analysis, physical models and data fitting:
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2-D imaging and handling of X-ray data:
MatSpecGUI
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3D filtered backprojection for SR computed laminography (please contact L. Helfen)
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Automated batch analysis of large diffraction data sets: SMC, POI
- Calculation of X-ray spectroscopy spectra: FDMNES (for details of the installation at the ESRF, please contact R. Wilcke)
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Elemental micro-mapping by dispersive XANES spectroscopy: XASMAP
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Fluorescence tomography reconstruction (please contact P. Bleuet or C. Ferrero)
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Forward tomography and laminography simulation: SRCL (please contact P. Mikulík or C. Ferrero)
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Full potential XANES: FPX
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High Speed Tomography Reconstruction: PyHST (please contact A. Mirone or C. Ferrero)
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Monte Carlo for X-ray fluorescent data analysis: XRFMC-PyMCA
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Monte Carlo for X-ray imaging and spectroscopy simulations: XRMC
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Multidimensional fitting of XANES spectra: FitIt
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Multiplet Inner Shell Spectroscopy Interactive GUI: MISSING
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Nuclear Resonant Reflectivity: REFTIM
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SAS data analysis of proteins and other organic molecules in solution: GENFIT
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SAXS/SANS data analysis software: Scatter
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Scalar and Magnetic multilayers: PPM
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Simulation of X-ray imaging techniques: VXI (please contact P. Duvauchelle or C. Ferrero)
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Standing waves: DARE
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XANES quantitative data analysis: MXAN
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X-ray and neutron reflectivity data fitting: RFit2000
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X-ray Diffraction Analysis: VISROCK
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X-ray Fluorescence Analysis: PyMCA
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X-ray Magnetic Circular Dichroism (AMARCORD has been superseded by a new code called Hilbert++, which is
able to describe small clusters in the second quantisation formalism.
For information about Hilbert++ please contact A. Mirone)
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X-ray and Neutron Powder Diffraction: PEAKOC
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X-ray optic analysis tools:
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Data pre-processing and on-line analysis
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AALib: Asynchronous Action Framework Project (Plugin-Based)
- DNA: macromolecular crystallography data collection and processing
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EDNA: a new initiative for automation of MX experiments that will replace DNA
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FABLE: a framework for sequencing simulation, data taking and online analysis of X-ray crystallography experiments
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PyMCA: X-ray Fluorescence Analysis
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SAXS Programs by P. Boesecke
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XOP: X-Ray Oriented Programs (X-ray optics, data analysis, ray-tracing,...)
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Automation:
- EDNA - A new initiative for automation of MX experiments that will replace DNA
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DNA - Macromolecular crystallography data collection and processing
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DNABenchmark - Automatic Scientific Benchmarking Tool for DNA
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EDFExplorer - ESRF File Format converter to HDF5 container
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Maintenance and development of software package pools:
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Protein crystallography: PXSOFT
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SAXS/NCD
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PyAALib - Python Version of the AALib Framework (Plugin-Based)
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Onsite information:
Please see the link in the left-hand navigation column for the SciSoft intranet web pages (visible to onsite visitors only).