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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# 42 15

  2. Informed-Proteomics Informed-Proteomics Public

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

    C# 32 9

  3. LIQUID LIQUID Public

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

    C# 23 2

  4. DeconTools DeconTools Public

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

    C# 20 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# 19 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# 16 9

Repositories

Showing 10 of 184 repositories
  • 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 9 3 1 Updated Sep 15, 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 Sep 5, 2026
  • File-Content-Updater Public

    Replaces text in files, using a text file with a list of search / replace values

    PNNL-Comp-Mass-Spec/File-Content-Updater's past year of commit activity
    C# 0 0 1 0 Updated Sep 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 Sep 1, 2026
  • RomicsProcessor Public

    R package that provides a structured R object to store and analyze omics data

    PNNL-Comp-Mass-Spec/RomicsProcessor's past year of commit activity
    R 6 2 0 0 Updated Aug 25, 2026
  • 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 24, 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 Aug 14, 2026
  • DMS-Organism-Database-Handler Public

    Organism Database (FASTA file) programs, including PRISMSeq Uploader and the FastaFileMaker console application

    PNNL-Comp-Mass-Spec/DMS-Organism-Database-Handler's past year of commit activity
    C# 0 1 0 0 Updated Aug 13, 2026
  • DMS-Update-Manager Public

    DMS Update Manager

    PNNL-Comp-Mass-Spec/DMS-Update-Manager's past year of commit activity
    C# 0 0 1 1 Updated Aug 12, 2026
  • SMAQC_Website Public

    CodeIgniter based website for browsing QC Metrics stored in DMS

    PNNL-Comp-Mass-Spec/SMAQC_Website's past year of commit activity
    JavaScript 0 MIT 0 0 1 Updated Aug 9, 2026
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