Computational Mass Spectrometry @ Pacific Northwest National Laboratory
- 98 followers
- Richland, WA
- https://omics.pnl.gov/software/
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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
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Informed-Proteomics
Informed-Proteomics PublicTop down / bottom up, MS/MS analysis tool for DDA and DIA mass spectrometry data
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DeconTools
DeconTools PublicUsed to deisotope mass spectra and to detect features from mass spectrometry data using observed isotopic signatures.
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DB-Schema-Export-Tool
DB-Schema-Export-Tool PublicExports 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…
Repositories
- DMS-Dataset-Retriever Public
Copies DMS instrument data files to a local computer, organizing the files into subdirectories, and optionally renaming the files to use a new dataset name.
PNNL-Comp-Mass-Spec/DMS-Dataset-Retriever’s past year of commit activity - 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 - Proteowizard-Wrapper Public
C# classes that can be used to interface with the ProteoWizard libraries
PNNL-Comp-Mass-Spec/Proteowizard-Wrapper’s past year of commit activity
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