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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 12

  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# 20 2

  4. DeconTools DeconTools Public

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

    C# 18 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 8

Repositories

Showing 10 of 184 repositories
  • MyEMSL-Reader Public

    MyEMSL Reader

    PNNL-Comp-Mass-Spec/MyEMSL-Reader’s past year of commit activity
    C# 2 0 0 0 Updated Dec 24, 2024
  • AScore Public

    The AScore program can process first-hits or synopsis files from MS-GF+, SEQUEST, or X!Tandem to compute confidence scores for the position of phosphorylated residues.

    PNNL-Comp-Mass-Spec/AScore’s past year of commit activity
    C# 3 1 0 0 Updated Dec 22, 2024
  • Protein-Parsimony Public

    Program that implements a protein parsimony algorithm for grouping proteins with similar peptides.

    PNNL-Comp-Mass-Spec/Protein-Parsimony’s past year of commit activity
    C# 0 0 1 0 Updated Dec 21, 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 Dec 20, 2024
  • Mage Public

    The Mage suite of tools provide access to DMS files and metadata.

    PNNL-Comp-Mass-Spec/Mage’s past year of commit activity
    C# 0 0 0 0 Updated Dec 20, 2024
  • DMS-Website Public

    DMS Website

    PNNL-Comp-Mass-Spec/DMS-Website’s past year of commit activity
    PHP 1 0 0 1 Updated Dec 19, 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 Dec 14, 2024
  • AutoCCS Public

    Automated Collision Cross Section calculation software for ion mobility spectrometry-mass spectrometry

    PNNL-Comp-Mass-Spec/AutoCCS’s past year of commit activity
    Python 8 BSD-2-Clause 1 1 0 Updated Dec 13, 2024
  • MSnSet.utils Public Forked from vladpetyuk/vp.misc

    custom wrappers of frequently used R code

    PNNL-Comp-Mass-Spec/MSnSet.utils’s past year of commit activity
    R 5 8 4 0 Updated Dec 8, 2024
  • 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 7, 2024
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