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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# 37 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# 18 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# 11 7

Repositories

Showing 10 of 182 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 Aug 8, 2024
  • 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 Aug 8, 2024
  • PNNL-PreProcessor Public

    Distribution binaries for the PNNL PreProcessor

    PNNL-Comp-Mass-Spec/PNNL-PreProcessor’s past year of commit activity
    1 0 0 0 Updated Aug 8, 2024
  • LLRC-Runner Public

    Uses LLRC to compute QCDM values using QC metric values from Quameter and SMAQC (Software Metrics for Analysis of Quality Control)

    PNNL-Comp-Mass-Spec/LLRC-Runner’s past year of commit activity
    C# 0 0 0 0 Updated Aug 8, 2024
  • Package_Folder_Create_Manager Public

    Creates a new storage folder for newly created data packages

    PNNL-Comp-Mass-Spec/Package_Folder_Create_Manager’s past year of commit activity
    C# 0 0 0 0 Updated Aug 8, 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 Aug 8, 2024
  • 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 0 0 Updated Aug 8, 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 Aug 8, 2024
  • 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 Aug 8, 2024
  • DataPackage-Archive-Manager Public

    DataPackage Archive Manager

    PNNL-Comp-Mass-Spec/DataPackage-Archive-Manager’s past year of commit activity
    C# 0 0 0 0 Updated Aug 8, 2024
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