Title: Data Streaming for Metabolomics: Accelerating Data Processing and Analysis from Days to Minutes

Abstract

The speed and throughput of analytical platforms has been a driving force in recent years in the “omics” technologies and while great strides have been accomplished in both chromatography and mass spectrometry, data analysis times have not benefited at the same pace. Even though personal computers have become more powerful, data transfer times still represent a bottleneck in data processing because of the increasingly complex data files and studies with a greater number of samples. To meet the demand of analyzing hundreds to thousands of samples within a given experiment, we have developed a data streaming platform, XCMS Stream, which capitalizes on the acquisition time to compress and stream recently acquired data files to data processing servers, mimicking just-in-time production strategies from the manufacturing industry. The utility of this XCMS Online-based technology is demonstrated here in the analysis of T cell metabolism and other large-scale metabolomic studies. A large scale example on a 1000 sample data set demonstrated a 10 000-fold time savings, reducing data analysis time from days to minutes. Here, XCMS Stream has the capability to increase the efficiency of downstream biochemical dependent data acquisition (BDDA) analysis by initiating data conversion and data processing on subsets of datamore » acquired, expanding its application beyond data transfer to smart preliminary data decision-making prior to full acquisition.« less

Authors:

Montenegro-Burke, J. Rafael  ^[1];

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• Search DOE PAGES for ORCID "0000-0001-7787-3414"

Aisporna, Aries E. ^[1]; Benton, H. Paul ^[1]; Rinehart, Duane ^[1]; Fang, Mingliang ^[1]; Huan, Tao ^[1]; Warth, Benedikt  ^[1];

• Search DOE PAGES for author "Warth, Benedikt"
• Search DOE PAGES for ORCID "0000-0002-6104-0706"

Forsberg, Erica  ^[1];

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• Search DOE PAGES for ORCID "0000-0001-5190-1501"

Abe, Brian T. ^[2]; Ivanisevic, Julijana ^[3]; Wolan, Dennis W. ^[4]; Teyton, Luc ^[2]; Lairson, Luke ^[5]; Siuzdak, Gary ^[6]

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+ Show Author Affiliations

1. Scripps Center for Metabolomics, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, United States
2. Department of Immunology and Microbial Science, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, United States
3. Metabolomics Research Platform, Faculty of Biology and Medicine, University of Lausanne, Rue du Bugnon 19, 1005 Lausanne, Switzerland
4. Departments of Molecular and Experimental Medicine, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, United States
5. Department of Chemistry, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, United States
6. Scripps Center for Metabolomics, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, United States, Departments of Chemistry, Molecular, and Computational Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, United States

Publication Date:

Tue Jan 03 00:00:00 EST 2017

Research Org.:

The Scripps Research Inst., La Jolla, CA (United States)

Sponsoring Org.:

USDOE Office of Science (SC), Biological and Environmental Research (BER)

OSTI Identifier:

1337887

Alternate Identifier(s):

OSTI ID: 1339957

Grant/Contract Number:  

AC02-05CH11231

Resource Type:

Published Article

Journal Name:

Analytical Chemistry

Additional Journal Information:

Journal Name: Analytical Chemistry Journal Volume: 89 Journal Issue: 2; Journal ID: ISSN 0003-2700

Publisher:

American Chemical Society

Country of Publication:

United States

Language:

English

Subject:

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY