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Published on 26 May 2021
Use Case 20 – Using an e-learning platform to support presentations
When presenting software at conferences or seminars it is easy to demonstrate the functionalities, but much more difficult to effectively communicate the actual user experience. Furthermore, the passive mode of listing makes it easier to forget what the software could do or how to do it. In order to engage the participants, online services can […]
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Published on 26 May 2021
Use Case 19 – Online visualization and analysis of Bruker NMR output
Nuclear Magnetic Resonance (NMR) spectroscopy is a technique widely used in characterization of various chemical compounds, providing information about the atomic electronic structure of molecules. Bruker is a world leader in the sector of NMR spectrometers. Bruker NMR devices output raw data in a proprietary format, that is processed by both open source and proprietary […]
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Published on 10 May 2021
Use Case 18 – In-silico Neutron diffraction from Boro-carbon systems: precise and reliable tool for exact structural analysis and defect detection
Inelastic neutron scattering experiments and ab-initio calculations have been used to investigate the location-dependent response of defects in diamond, and doped diamond structures. Utilising the exact structural properties and nuclear positions based on the ab-initio calculations, their neutron scattering signals were analysed, and the origin of the diffraction peaks was identified, correlating them to individual […]
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Published on 3 May 2021
Use Case 17 – Reusing data for validation of force fields
Quasi-elastic neutron scattering (QENS) is unique in the sense that it probes nuclei dynamics at the same time-scales that can be probed with molecular dynamics simulations. QENS data therefore offer an opportunity to validate force fields for molecular dynamics simulations and to optimize those force fields. This can be done simply by comparing the dynamic […]
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Published on 28 April 2021
Use Case 16 – Coherent mode decomposition of synchrotron emission by COMSYL
The radiation emitted by new low emittance storage rings, like the EBS at ESRF, is much more coherent than in the old synchrotrons. This is of great interest for many experimental techniques like X-ray photon correlation spectroscopy, coherent diffraction imaging, or ptychography. Perhaps the most efficient way to describe the partial coherence characteristics of a […]
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Published on 26 April 2021
Use Case 15 – Make cultural heritage publication on ultramarine disease reproducible
The scientist involved, Alessa Gambardella, sees that the “EOSC will offer cultural heritage institutions a platform for sharing collections-based data, which will enable epidemiological studies related…to any degradation phenomena, or conditions-based inquiries” helping to answer questions that reach beyond that possible with the relatively small datasets acquired in a single collection or site. In order […]
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Published on 30 March 2021
Use Case 14 – Temporal shape of XFEL pulses and radiation damage of a biomolecule in single particle imaging
Single particle imaging is an emerging tool to determine the structure of biological molecules, without the need of crystallization. Among other things, the method is limited by radiation damage. For each sample that interacts with the X-rays from an XFEL, the dynamics will be different, since the pulses will not have the same temporal shape. […]
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Published on 17 March 2021
Use case 13 – Effects on the spot quality of the mirror error profile and source pointing instability
While assessing the performance of X-Ray optics, the focusing sharpness of the mirror is evaluated under different conditions. An important parameter is the beam pointing stability. When combined with the local curvature changes due to the mirror surface defects, pointing instability can induce shifts of the focal plane, or equivalently a broadening of the spot […]
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Published on 17 March 2021
Use case 12 – K-B System performance analysis
FERMI is the first and only seeded EUV-SXR free-electron laser (FEL) facility available to users. Three of its five end-stationg use a Kirkpatrick–Baez (KB) active X-ray optics system to focus the FEL pulses into the experimental chambers. Design, prototyping, metrology, performance analysis and commissioning have been carried on totally in-house. WISER has been used to […]
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Published on 23 February 2021
Use case 11 – Create DOIs for datasets in paleontology database
The ESRF hosted paleontology database http://paleo.esrf.fr/ contains hundreds of unique datasets of ancient specimens from around the world. The database has been in existence since 2011. It contains mostly reconstructed data of 3D volumes of specimens. The specimens are mostly from museums around the world. Their ages range from thousands to hundreds of millions of […]
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Published on 22 February 2021
Use Case 10 – Linking raw data to the Protein Data Bank in Europe (PDBe)
The protein data bank (PDBe in Europe) is the reference repository for protein structures. All protein structures determined by different techniques are stored in the PDB. Since 2019 it is possible to link the protein structure entry to the raw data (images) often taken at the photon sources. As described in this article, “the model […]
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Published on 16 February 2021
Use Case 9 – Serial Femtosecond Crystallography Experiment Simulation
Serial femtosecond crystallography is a powerful tool to resolve the structure of mesoscopic crystals, especially for small proteins. However, there are many complications, such as the pixel noise, unfunctional detector tiles and X-ray fluctuation, affecting the success of the experiment. By simulation with SimEx, one can predict the possible effects of the complications to help […]
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