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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 11

  2. Informed-Proteomics Informed-Proteomics Public

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

    C# 29 9

  3. LIQUID LIQUID Public

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

    C# 19 2

  4. DeconTools DeconTools Public

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

    C# 17 4

  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# 15 4

  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# 12 7

Repositories

Showing 10 of 182 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 3, 2024
  • 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 3, 2024
  • Parameter-File-Editor Public

    DLL for retrieving parameter files from DMS

    PNNL-Comp-Mass-Spec/Parameter-File-Editor’s past year of commit activity
    Visual Basic .NET 0 0 0 0 Updated Oct 2, 2024
  • DMS-Website Public

    DMS Website

    PNNL-Comp-Mass-Spec/DMS-Website’s past year of commit activity
    PHP 1 0 0 1 Updated Oct 1, 2024
  • 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# 8 3 1 0 Updated Oct 1, 2024
  • 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 Sep 28, 2024
  • DBSchema_DMS Public

    PRISM Data Management System database schema

    PNNL-Comp-Mass-Spec/DBSchema_DMS’s past year of commit activity
    TSQL 3 3 0 0 Updated Sep 28, 2024
  • VSProj-NuGet-Version-Updater Public

    Searches for Visual Studio project files (.csproj and.vsproj) that reference a specific NuGet package and updates the referenced version to a newer version if necessary.

    PNNL-Comp-Mass-Spec/VSProj-NuGet-Version-Updater’s past year of commit activity
    C# 0 0 0 0 Updated Sep 26, 2024
  • 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 Sep 25, 2024
  • 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# 15 4 3 0 Updated Sep 24, 2024
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