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Open-Source, Platform-Independent Library and Online Scripting Environment for Accessing Thermo Scientific RAW Files

2015; American Chemical Society; Volume: 14; Issue: 11 Linguagem: Inglês

10.1021/acs.jproteome.5b00778

1535-3907

Pieter Kelchtermans, Ana S. C. Silva, Andrea Argentini, An Staes, Jonathan Vandenbussche, Kris Laukens, Dirk Valkenborg, Lennart Martens,

Advanced Data Storage Technologies

Mass spectrometers typically output data in proprietary binary formats. While converter suites and standardized XML formats have been developed in response, these conversion steps come with non-negligible computational time and storage space overhead. As a result, simple, everyday data inspection tasks are often beyond the skills of the mass spectrometrist, who is unable to freely access the acquired data. We therefore here describe the unthermo library for convenient, platform-independent access to Thermo Scientific RAW files and the associated online playground to transform small and easily understandable scriptlets into executable programs for end-users. By fostering the provision of code examples and snippet exchange, the interested mass spectrometrist or researcher can use this playground to quickly assemble custom scripts for their particular purpose. In this way, the data in these RAW files can be mined much more readily and directly by the user, and fast, automated raw data extraction or analysis can finally become part of the daily routine of the mass spectrometrist.