Enabling Re-executable Workflows with Near-realtime Visualization, Provenance Capture and Advanced Querying for Mass Spectrometry Data

Conference · Sun Aug 14 00:00:00 EDT 2016

DOI:https://doi.org/10.1109/NYSDS.2016.7747806· OSTI ID:1440708

Thomas, Mathew; Laskin, Julia; Raju, Bibi; Stephan, Eric G.; Elsethagen, Todd O.; Van, Nhuy YS; Nguyen, Son N.

Mass spectrometry imaging (MSI) enables simultaneous spatially-resolved analysis of numerous ionizable molecules on a sample surface. The current analysis pipeline involves analyzing the data coming off the instrument using a tool called MSI Quickview and saving the results onto a storage drive before moving on to the next experiment. While this works well for single datasets, there is a demand for more scalable, flexible workflows that are re-executable across datasets, support extensive querying and ease collaboration. Here, we present a workflow that moves data analysis from a mere desktop application for single experiments to a more general capability

• Research Organization: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1440708
• Report Number(s): PNNL-SA-119824; 453040220
• Resource Relation: Conference: New York Scientific Data Summit (NYSDS 2016), August 14-17, 2016, New York
• Country of Publication: United States
• Language: English

Related Subjects

Re-executable workflow