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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# 39 14

  2. Informed-Proteomics Informed-Proteomics Public

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

    C# 31 8

  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 3

  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 8

Repositories

Showing 10 of 184 repositories
  • 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 Sep 20, 2025
  • DMS-Website Public

    DMS Website

    PNNL-Comp-Mass-Spec/DMS-Website’s past year of commit activity
    JavaScript 1 0 0 0 Updated Sep 20, 2025
  • PSI-Interface Public

    C# reader/writer for mzIdentML files (.mzID). Also supports reading mzML files.

    PNNL-Comp-Mass-Spec/PSI-Interface’s past year of commit activity
    C# 4 4 0 0 Updated Sep 18, 2025
  • 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 8 0 0 Updated Sep 11, 2025
  • MSnSet.utils Public Forked from vladpetyuk/vp.misc

    custom wrappers of frequently used R code

    PNNL-Comp-Mass-Spec/MSnSet.utils’s past year of commit activity
    R 7 8 3 0 Updated Sep 11, 2025
  • MSnID Public Forked from vladpetyuk/MSnID

    utilities for handling MS/MS proteomic identifications

    PNNL-Comp-Mass-Spec/MSnID’s past year of commit activity
    R 2 9 3 0 Updated Sep 9, 2025
  • Buzzard Public

    Utility for manually and automatically adding datasets to DMS

    PNNL-Comp-Mass-Spec/Buzzard’s past year of commit activity
    C# 0 0 0 0 Updated Aug 27, 2025
  • LCMSNet Public

    LCMSNet software for instrument control

    PNNL-Comp-Mass-Spec/LCMSNet’s past year of commit activity
    C# 3 1 0 0 Updated Aug 17, 2025
  • 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 Aug 9, 2025
  • AqMD3-Acquisition-Console Public

    Acquisition software for the Acqiris SA220P digitizer card

    PNNL-Comp-Mass-Spec/AqMD3-Acquisition-Console’s past year of commit activity
    C++ 3 BSD-2-Clause 1 0 1 Updated Aug 9, 2025
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