Calvera: A Platform for the Interpretation and Analysis of Neutron Scattering Data

Gregory R. Watson, Gregory Cage, Jon Fortney, Garrett E. Granroth, Harry Hughes, Thomas Maier, Marshall McDonnell, Anibal Ramirez-Cuesta, Robert Smith, Sergey Yakubov, Wenduo Zhou

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

Data analysis for neutron scattering experiments is driven by the scientific needs of the instrument users and varies greatly by technique and field of study. Data from an experiment must first be “reduced” so that instrument artifacts are removed, and then scientists must choose from a wide variety of tools and applications to assemble a workflow that enables useful scientific results to be extracted. The highly manual nature of this process, combined with difficulty accessing computational resources and data when needed, puts limits on the efficiency and nature of the analysis undertaken. In addition, other activities, such as tracking data provenance to ensure the analysis is reproducible, or providing live data analysis during experiment runs, are also difficult to achieve. Calvera is a platform that aims to solve many of the difficulties encountered by scientists as they analyze experimental neutron scattering data. In particular, the platform will provide an integration point for a range of services, such as data virtualization, remote computation, and visualization under the control of a workflow management system. In addition, the platform will handle security related issues, and maintain a history of the data sets employed during workflow execution. User’s will be able to construct, manage, and share workflows via a graphical user interface, as well as script workflows via a python API. In this paper, we will describe the architecture and design of Calvera, as well as how we will address the many requirements for executing neutron science workflows in a distributed environment.

Original languageEnglish
Title of host publicationAccelerating Science and Engineering Discoveries Through Integrated Research Infrastructure for Experiment, Big Data, Modeling and Simulation - 22nd Smoky Mountains Computational Sciences and Engineering Conference, SMC 2022, Revised Selected Papers
EditorsKothe Doug, Geist Al, Swaroop Pophale, Hong Liu, Suzanne Parete-Koon
PublisherSpringer Science and Business Media Deutschland GmbH
Pages137-154
Number of pages18
ISBN (Print)9783031236051
DOIs
StatePublished - 2022
EventSmoky Mountains Computational Sciences and Engineering Conference, SMC 2022 - Virtual, Online
Duration: Aug 24 2022Aug 25 2022

Publication series

NameCommunications in Computer and Information Science
Volume1690 CCIS
ISSN (Print)1865-0929
ISSN (Electronic)1865-0937

Conference

ConferenceSmoky Mountains Computational Sciences and Engineering Conference, SMC 2022
CityVirtual, Online
Period08/24/2208/25/22

Funding

Acknowledgements. Research sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. Department of Energy.

FundersFunder number
U.S. Department of Energy
Oak Ridge National Laboratory

    Keywords

    • Data analysis
    • Data management
    • Distributed computing
    • Ecosystem
    • Neutron science
    • Visualization
    • Workflows

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