U.S. Department of Energy

Pacific Northwest National Laboratory

MS Data File Utilities

PNNL PreProcessor

Ion mobility mass spectrometry is an emerging method of molecular characterization (reference publications here).

Area of Research: 
Informatics
Metabolomics
Proteomics,

Concatenated Text File Splitter

The Concatenated Text File Splitter can be used to split apart the concatenated file to re-create the individual text files (creating one file per spectrum).

Area of Research: 
Proteomics,

OBO Data Converter

Utility for converting ontology OBO files to a tab-delimited text file

Area of Research: 
Informatics

FlexibleFileSortUtility

The Flexible File Sort Utility is a command line application that sorts a text file alphabetically (forward or reverse).
It supports both in-memory sorts for smaller files and use of temporary swap files for large files.

Area of Research: 
Proteomics,

Concatenated DTA to Mascot Generic File (MGF) File Converter

Command-line utility that reads in a _Dta.txt file and creates the equivalent Mascot Generic Format (MGF) file. _Dta.txt files are large text files that contain numerous .Dta files, all concatenated together.

Area of Research: 
Proteomics,

Thermo Raw File Reader

The Thermo Raw File Reader is a .NET DLL that demonstrates how to read Thermo-Finnigan .Raw files using Thermo's MS File Reader.

Area of Research: 
Proteomics,

MS File Info Scanner

The MS File Info Scanner can be used to scan a series of MS data files (or data folders) and extract the acquisition start and end times, number of spectra, and the total size of the data.

Area of Research: 
Proteomics,
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