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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 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# 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
  • DMS-Website Public

    DMS Website

    PNNL-Comp-Mass-Spec/DMS-Website’s past year of commit activity
    PHP 1 0 0 1 Updated Jan 31, 2025
  • PNNL-PreProcessor Public

    Distribution binaries for the PNNL PreProcessor

    PNNL-Comp-Mass-Spec/PNNL-PreProcessor’s past year of commit activity
    2 0 0 0 Updated Jan 31, 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 Jan 30, 2025
  • PNNL.DMS.utils Public

    Tools to interface with PNNL's DMS in R

    PNNL-Comp-Mass-Spec/PNNL.DMS.utils’s past year of commit activity
    R 1 0 5 2 Updated Jan 29, 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 Jan 28, 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# 12 BSD-2-Clause 8 0 0 Updated Jan 24, 2025
  • DMS-Model-Config-Db-Updater Public

    Updates column names in the SQLite files used by the DMS website to retrieve data from the DMS database and display it for users

    PNNL-Comp-Mass-Spec/DMS-Model-Config-Db-Updater’s past year of commit activity
    C# 0 0 0 0 Updated Jan 24, 2025
  • PgSQL-Procedure-List-Updater Public

    Processes a PostgreSQL DDL file with procedure or function creation statements and updates each procedure or function found using a file created by the DB Schema Export Tool

    PNNL-Comp-Mass-Spec/PgSQL-Procedure-List-Updater’s past year of commit activity
    C# 0 0 0 0 Updated Jan 24, 2025
  • SQLServer-Stored-Procedure-Converter Public

    Converts SQL Server stored procedures to PostgreSQL compatible stored procedures

    PNNL-Comp-Mass-Spec/SQLServer-Stored-Procedure-Converter’s past year of commit activity
    PLpgSQL 4 1 0 0 Updated Jan 24, 2025
  • PgSQL-View-Creator-Helper Public

    Uses a map file to update table and column names in a SQL DDL file with Create View statements

    PNNL-Comp-Mass-Spec/PgSQL-View-Creator-Helper’s past year of commit activity
    C# 0 0 0 0 Updated Jan 24, 2025
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