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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# 38 13

  2. Informed-Proteomics Informed-Proteomics Public

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

    C# 30 8

  3. LIQUID LIQUID Public

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

    C# 20 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
  • 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 Jun 4, 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 Jun 3, 2025
  • 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
    HTML 0 MIT 0 0 1 Updated Jun 3, 2025
  • 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 May 29, 2025
  • DMS-Website Public

    DMS Website

    PNNL-Comp-Mass-Spec/DMS-Website’s past year of commit activity
    PHP 1 0 0 1 Updated May 28, 2025
  • UIMF-Library Public

    Used to create, modify and extract data from UIMF files, which are SQLite databases of mass spectrometry data acquired at Pacific Northwest National Laboratory (PNNL)

    PNNL-Comp-Mass-Spec/UIMF-Library’s past year of commit activity
    C# 1 4 0 0 Updated May 28, 2025
  • SAIS-CSharp Public

    Suffix array, induced sorting library. Source from https://sites.google.com/site/yuta256/sais, with updated project and framework configuration

    PNNL-Comp-Mass-Spec/SAIS-CSharp’s past year of commit activity
    C# 1 1 0 0 Updated May 28, 2025
  • Protein-File-Reader Public

    Class for reading Protein files, specifically .fasta files and certain tab-delimited formats

    PNNL-Comp-Mass-Spec/Protein-File-Reader’s past year of commit activity
    C# 0 1 0 0 Updated May 28, 2025
  • PRISM-Class-Library Public

    The PRISM Class Library is a collection of routines used by many of the software tools that support the Data Management System at PNNL.

    PNNL-Comp-Mass-Spec/PRISM-Class-Library’s past year of commit activity
    C# 2 2 0 0 Updated May 28, 2025
  • ROSMAP103_TopDown Public
    PNNL-Comp-Mass-Spec/ROSMAP103_TopDown’s past year of commit activity
    R 0 0 0 0 Updated May 7, 2025
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