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@PNNL-Comp-Mass-Spec

Computational Mass Spectrometry @ Pacific Northwest National Laboratory

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  1. Thermo-Raw-File-Reader Thermo-Raw-File-Reader Public

    .NET DLL wrapper for reading Thermo .Raw files. Uses ThermoFisher.CommonCore NuGet packages provided by Thermo Fisher Scientific

    C# 40 14

  2. Informed-Proteomics Informed-Proteomics Public

    Top down / bottom up, MS/MS analysis tool for DDA and DIA mass spectrometry data

    C# 31 9

  3. LIQUID LIQUID Public

    Software tool for identifying lipids in LC-MS/MS-based lipidomics data

    C# 22 2

  4. DeconTools DeconTools Public

    Used to deisotope mass spectra and to detect features from mass spectrometry data using observed isotopic signatures.

    C# 19 5

  5. MASIC MASIC Public

    MASIC generates selected ion chromatograms (SICs) for all of the parent ions chosen for fragmentation in an LC-MS/MS analysis, characterizing the peak(s) in each SIC, computing peak statistics incl…

    C# 17 2

  6. DB-Schema-Export-Tool DB-Schema-Export-Tool Public

    Exports SQL Server and Postgres database objects as schema files. Exported objects include tables, views, stored procedures, and functions, plus also database properties including database roles an…

    C# 15 9

Repositories

Showing 10 of 184 repositories
  • DMS-Capture-Task-Manager Public

    DMS Capture Task Manager

    PNNL-Comp-Mass-Spec/DMS-Capture-Task-Manager’s past year of commit activity
    C# 1 BSD-2-Clause 0 0 0 Updated Apr 2, 2026
  • DMS-Website Public

    DMS Website

    PNNL-Comp-Mass-Spec/DMS-Website’s past year of commit activity
    JavaScript 1 0 0 0 Updated Apr 2, 2026
  • DBSchema_PgSQL_DMS Public

    PRISM Data Management System PostgreSQL database schema

    PNNL-Comp-Mass-Spec/DBSchema_PgSQL_DMS’s past year of commit activity
    PLpgSQL 3 0 0 0 Updated Apr 2, 2026
  • DB-Schema-Export-Tool Public

    Exports SQL Server and Postgres database objects as schema files. Exported objects include tables, views, stored procedures, and functions, plus also database properties including database roles and logins. The program can also export table data to create SQL files with an Insert Into statement for each row.

    PNNL-Comp-Mass-Spec/DB-Schema-Export-Tool’s past year of commit activity
    C# 15 BSD-2-Clause 9 0 0 Updated Apr 2, 2026
  • MS-File-Info-Scanner Public

    Examines a series of MS data files (or data directories) and extracts the acquisition start and end times, number of spectra, and the total size of the data. In addition, it can create 2D-plot graphics of the m/z values vs. time for QA purposes.

    PNNL-Comp-Mass-Spec/MS-File-Info-Scanner’s past year of commit activity
    C# 9 3 1 0 Updated Apr 1, 2026
  • protein-coverage-summarizer Public

    Computes the percent of the residues in each protein sequence that have been identified, based on a list of identified peptides. A graphical user interface (GUI) is provided to allow the user to select the input files, set the options, and browse the coverage results.

    PNNL-Comp-Mass-Spec/protein-coverage-summarizer’s past year of commit activity
    C# 7 BSD-2-Clause 3 0 0 Updated Mar 20, 2026
  • DMS-Analysis-Manager Public

    DMS Analysis Tool Manager

    PNNL-Comp-Mass-Spec/DMS-Analysis-Manager’s past year of commit activity
    C# 3 BSD-2-Clause 0 0 0 Updated Mar 11, 2026
  • Proteowizard-Wrapper Public

    C# classes that can be used to interface with the ProteoWizard libraries

    PNNL-Comp-Mass-Spec/Proteowizard-Wrapper’s past year of commit activity
    C# 3 1 0 0 Updated Mar 4, 2026
  • PNNL-PreProcessor Public

    Distribution binaries for the PNNL PreProcessor

    PNNL-Comp-Mass-Spec/PNNL-PreProcessor’s past year of commit activity
    4 0 0 0 Updated Feb 27, 2026
  • PNNL.DIA.utils Public

    **WORK IN PROGRESS** misc. functions for DIA proteomics data analysis and parsing to MSnSet objects

    PNNL-Comp-Mass-Spec/PNNL.DIA.utils’s past year of commit activity
    R 0 1 4 (1 issue needs help) 0 Updated Jan 26, 2026
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