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Target audience: instrument scientist  or scientific 


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/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
RDMO - Research Data Management Organiser

A tool to support the planning, implementation, and organisation of research data management.

Keywords: FAIR, DMP

Resource type: tool

RDMO - Research Data Management Organiser https://pan-training.eu/materials/rdmo-research-data-management-organiser A tool to support the planning, implementation, and organisation of research data management. FAIR, DMP data curator research data scientist research data engineer instrument scientist PaN users
The FAIR Experiment

Video recording of the workshop exploring the FAIR Experiment at PaN facilities (02/10/2020)

Keywords: FAIR, research data, data management, metadata, wp2-ExPaNDS

Resource type: video

The FAIR Experiment https://pan-training.eu/materials/the-fair-experiment Video recording of the workshop exploring the FAIR Experiment at PaN facilities (02/10/2020) FAIR, research data, data management, metadata, wp2-ExPaNDS facility staff instrument scientist
FAIR for facilities

Video recording of the workshop providing an overview of FAIR to PaN facilities (01/10/2020)

Keywords: FAIR, research data, wp2-ExPaNDS

Resource type: video

FAIR for facilities https://pan-training.eu/materials/fair-for-facilities Video recording of the workshop providing an overview of FAIR to PaN facilities (01/10/2020) FAIR, research data, wp2-ExPaNDS PaN Community instrument scientist facility staff