Computational Mass Spectrometry @ Pacific Northwest National Laboratory
- 70 followers
- Richland, WA
- https://omics.pnl.gov/software/
Popular repositories
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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
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- 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.
- 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).
- UIMF-Library Public
Used to create, modify and extract data from UIMF files, which are SQLite databases of mass spectrometry data acquired at Pacific Northwest National Laboratory (PNNL)
- SAIS-CSharp Public
Suffix array, induced sorting library. Source from https://sites.google.com/site/yuta256/sais, with updated project and framework configuration
- Protein-File-Reader Public
Class for reading Protein files, specifically .fasta files and certain tab-delimited formats
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