Generating Peptide Mass Spectrometry Ground Truth Data

Author

Jessica L. Henning, The University Of MontanaFollow
Rob Smith, The University Of MontanaFollow

Year of Award

2020

Document Type

Thesis

Degree Type

Master of Science (MS)

Degree Name

Computer Science

Department or School/College

Computer Science

Committee Chair

Rob Smith

Commitee Members

Rob Smith, Michael Cassens, Douglas Brinkerhoff

Keywords

Mass Spectrometry, Ground Truth Data

Subject Categories

Other Computer Sciences | Software Engineering

Abstract

Very few quantitative evaluations exist for precursor mass spectrometry data due to the lack of tools for enabling the manual feature finding necessary to generate this data. Other lacks the ability to capture, edit, save, and view precursor mass spectrometry data. We present JS-MS 2.0, a software suite that provides a dependency-free, browser-based, one click, cross-platform solution for creating precursor ground truth. The software retains the first version’s capacity for loading, viewing, and navigating MS1 data in 2- and 3-D, and adds tools for capturing, editing, saving and viewing isotopic envelope and extracted isotopic chromatogram features. The software can also be used to view and explore the results of feature finding algorithms. JS-MS 2.0 enables faster creation and inspection of precursor mass spectrometry ground truth data. It is publicly available with a GPL 2.0 license at github.com/optimusmoose/jsms.

Recommended Citation

Henning, Jessica L. and Smith, Rob, "Generating Peptide Mass Spectrometry Ground Truth Data" (2020). Graduate Student Theses, Dissertations, & Professional Papers. 11528.
https://scholarworks.umt.edu/etd/11528