Containerized Serial Crystallography “CrystFEL” VISA workflow
Experiments generate up to 150 TB per day of data saved at the measurement facility. Such large datasets are impractical for users to take home.
Subsequent analysis needs to be performed remotely making it attractive for deployment as a cloud-like use case. Involving EOSC in the analysis and...
Scientific topics: crystallography
Keywords: CrystFEL, Serial crystallography, pulsed X-ray beam, VISA
Resource type: workflow
Containerized Serial Crystallography “CrystFEL” VISA workflow
https://pan-training.eu/workflows/containerized-serial-crystallography-visa-workflow
https://pan-training.eu/materials/containerized-serial-crystallography-crystfel-visa-workflow
Experiments generate up to 150 TB per day of data saved at the measurement facility. Such large datasets are impractical for users to take home.
Subsequent analysis needs to be performed remotely making it attractive for deployment as a cloud-like use case. Involving EOSC in the analysis and re-use of this data is an appropriate use case.
Serial crystallography is a beam-line technique for collecting information on the structure of a protein without growing large protein crystals. Instead, a large number of small protein crystals are held in a pulsed X-ray beam. In a second step, the series of produced images are used to reconstruct a precise 3-D image of the protein structure. Serial crystallography is the preferred technique for obtaining diffraction data of proteins at room temperature, where radiation damage from the X-ray beam starts rapidly. The standard software for analysing serial crystallography is “CrystFEL”.
The proposed workflow was rendered in a standard fashion, which would allow it to be easily adopted by arbitrary systems or also other containerized applications. The only requirements are an Apptainer installation on the system and a Docker or Singularity/Apptainer image of the application, as well as an adjustment of the configuration file for the wrapper script.
crystallography
CrystFEL, Serial crystallography, pulsed X-ray beam, VISA
research data scientist
scientific
Introduction to PGAA: Prompt-Gamma Neutron Activation Analysis and Neutron Imaging at BNC
Introduction by László Szentmiklósi, to Prompt-Gamma Neutron Activation Analysis (PGAA) and Neutron Imaging at the the CERIC-ERIC Hungarian partner facility, the Budapest Neutron Centre of the Centre for Energy Research (EK)
Link to PGAA webpage:...
Keywords: Prompt-Gamma Neutron Activation Analysis, PGAA, Neutron imaging, archaeology, Materials Science, Heritage Science, Engineering
Resource type: video
Introduction to PGAA: Prompt-Gamma Neutron Activation Analysis and Neutron Imaging at BNC
https://youtu.be/APCQiATOR7g
https://pan-training.eu/materials/introduction-to-pgaa-prompt-gamma-neutron-activation-analysis-and-neutron-imaging-at-bnc
Introduction by László Szentmiklósi, to Prompt-Gamma Neutron Activation Analysis (PGAA) and Neutron Imaging at the the CERIC-ERIC Hungarian partner facility, the Budapest Neutron Centre of the Centre for Energy Research (EK)
Link to PGAA webpage: https://www.ceric-eric.eu/lab-instrument/prompt-gamma-neutron-activation-analysis/
Link to RAD webpage: https://www.ceric-eric.eu/lab-instrument/thermal-radiography-station/
Prompt-Gamma Neutron Activation Analysis, PGAA, Neutron imaging, archaeology, Materials Science, Heritage Science, Engineering
researchers
PhD students
scientists
archaeologists
Materials scientists
engineers
experts / scientists in heritage sciences