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Title: Experimental Data Curation at Large Instrument Facilities with Open Source Software

Abstract

The National Synchrotron Light Source II operating at Brookhaven National Laboratory since 2014 for the US Department of Energy is one of the newest and brightest storage-ring synchrotron facility in the world.  NSLS-II, like other facilities, provides pre-processing of the raw data and some analysis capabilities to its users. We describe the research collaborations and open source infrastructure  developed at large instrument facilities such as NSLS-II for the purpose of curating high value scientific data along the early stages of the data lifecycle.  Data acquisition and curation tasks include storing experiment configuration, detector metadata, raw data acquisition with infrastructure that converts proprietary instrument formats to industry standards.  In addition, we describe a specific effort for discovering sample information at NSLS-II and tracing the provenance of analysis performed on acquired images.  We show that curation tasks must be embedded into software along the data life cycle for effectiveness and ease of use, and that loosely defined collaborations evolve around shared open source tools.  Finally we discuss best practices for experimental metadata capture in such facilities, data access and the new challenges of scale and complexity posed by AI-based discovery for the synthesis of new materials.

Authors:
ORCiD logo; ORCiD logo; ORCiD logo
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1561332
Grant/Contract Number:  
DESC0012704
Resource Type:
Published Article
Journal Name:
International Journal of Digital Curation
Additional Journal Information:
Journal Name: International Journal of Digital Curation Journal Volume: 14 Journal Issue: 1; Journal ID: ISSN 1746-8256
Publisher:
DOI PREFIX: 10.2218
Country of Publication:
Country unknown/Code not available
Language:
English

Citation Formats

Pouchard, Line, Kleese van Dam, Kerstin, and Campbell, Stuart I. Experimental Data Curation at Large Instrument Facilities with Open Source Software. Country unknown/Code not available: N. p., 2019. Web. doi:10.2218/ijdc.v14i1.637.
Pouchard, Line, Kleese van Dam, Kerstin, & Campbell, Stuart I. Experimental Data Curation at Large Instrument Facilities with Open Source Software. Country unknown/Code not available. doi:10.2218/ijdc.v14i1.637.
Pouchard, Line, Kleese van Dam, Kerstin, and Campbell, Stuart I. Wed . "Experimental Data Curation at Large Instrument Facilities with Open Source Software". Country unknown/Code not available. doi:10.2218/ijdc.v14i1.637.
@article{osti_1561332,
title = {Experimental Data Curation at Large Instrument Facilities with Open Source Software},
author = {Pouchard, Line and Kleese van Dam, Kerstin and Campbell, Stuart I.},
abstractNote = {The National Synchrotron Light Source II operating at Brookhaven National Laboratory since 2014 for the US Department of Energy is one of the newest and brightest storage-ring synchrotron facility in the world.  NSLS-II, like other facilities, provides pre-processing of the raw data and some analysis capabilities to its users. We describe the research collaborations and open source infrastructure  developed at large instrument facilities such as NSLS-II for the purpose of curating high value scientific data along the early stages of the data lifecycle.  Data acquisition and curation tasks include storing experiment configuration, detector metadata, raw data acquisition with infrastructure that converts proprietary instrument formats to industry standards.  In addition, we describe a specific effort for discovering sample information at NSLS-II and tracing the provenance of analysis performed on acquired images.  We show that curation tasks must be embedded into software along the data life cycle for effectiveness and ease of use, and that loosely defined collaborations evolve around shared open source tools.  Finally we discuss best practices for experimental metadata capture in such facilities, data access and the new challenges of scale and complexity posed by AI-based discovery for the synthesis of new materials.},
doi = {10.2218/ijdc.v14i1.637},
journal = {International Journal of Digital Curation},
number = 1,
volume = 14,
place = {Country unknown/Code not available},
year = {2019},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.2218/ijdc.v14i1.637

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