Skip to content
@PNNL-Comp-Mass-Spec

Computational Mass Spectrometry @ Pacific Northwest National Laboratory

Popular repositories Loading

  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
  • 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 Oct 30, 2026
  • DMS-Website Public

    DMS Website

    PNNL-Comp-Mass-Spec/DMS-Website's past year of commit activity
    JavaScript 1 0 0 2 Updated Oct 29, 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 Oct 24, 2026
  • Thermo-Raw-File-Reader Public

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

    PNNL-Comp-Mass-Spec/Thermo-Raw-File-Reader's past year of commit activity
    C# 42 15 1 0 Updated Oct 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 Oct 20, 2026
  • DMS-Space-Manager Public

    DMS Space Manager

    PNNL-Comp-Mass-Spec/DMS-Space-Manager's past year of commit activity
    C# 0 0 0 0 Updated Oct 10, 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# 16 BSD-2-Clause 9 0 0 Updated Oct 8, 2026
  • IMS-Informed-Library Public

    ImsInformed is a .NET class library that provides target identification workflows for peptides and metabolites alike in IMS experiment runs.

    PNNL-Comp-Mass-Spec/IMS-Informed-Library's past year of commit activity
    C# 2 0 1 0 Updated Oct 1, 2026
  • MS-Data-File-Reader Public

    A VB.NET DLL that can read mass spectrometry data from four file formats: mzXML, mzData, concatenated .dta files (_dta.txt), and Mascot Generic Format files (.mgf)

    PNNL-Comp-Mass-Spec/MS-Data-File-Reader's past year of commit activity
    C# 3 3 1 0 Updated Sep 30, 2026
  • PNNL-Omics Public

    Data analysis, file I/O, and visualization routines used by several of the omics-related software developed at PNNL

    PNNL-Comp-Mass-Spec/PNNL-Omics's past year of commit activity
    C# 0 1 1 0 Updated Sep 30, 2026
View all repositories