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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 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 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 9

Repositories

Showing 10 of 184 repositories
  • 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 Dec 19, 2025
  • PHRP Public

    Converts a MS-GF+ .tsv search result file or an X!Tandem results file (XML format) into a series of tab-delimited text files, summarizing the results. It also supports results files from MaxQuant, MSAlign, TopPIC, MODa, MODPlus, and MSPathFinder, along with SEQUEST Synopsis/First Hits files.

    PNNL-Comp-Mass-Spec/PHRP’s past year of commit activity
    C# 0 0 0 0 Updated Dec 19, 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 Dec 16, 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 9 0 0 Updated Dec 13, 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 Dec 12, 2025
  • DMS-Website Public

    DMS Website

    PNNL-Comp-Mass-Spec/DMS-Website’s past year of commit activity
    JavaScript 1 0 0 0 Updated Dec 8, 2025
  • DMS-Program-Runner-Service Public

    DMS Program Runner Service

    PNNL-Comp-Mass-Spec/DMS-Program-Runner-Service’s past year of commit activity
    C# 0 0 0 0 Updated Dec 6, 2025
  • 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 including elution time of the peak apex, peak area, and peak signal/noise. It can also extract reporter ion abundances (e.g. iTRAQ or TMT).

    PNNL-Comp-Mass-Spec/MASIC’s past year of commit activity
    C# 17 3 4 0 Updated Dec 4, 2025
  • MyEMSL-Reader Public

    MyEMSL Reader

    PNNL-Comp-Mass-Spec/MyEMSL-Reader’s past year of commit activity
    C# 2 0 0 0 Updated Dec 2, 2025
  • 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 Dec 2, 2025
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