Community software for challenging isotope analysis: First applications of 'Easotope' to clumped isotopes.
RATIONALE The measurement of complex isotope systems, notably the multiply substituted isotopologues of CO2 derived from carbonates, is challenging from a mass spectrometric point of view, but it is also time consuming and difficult from a data reduction and normalization perspective. Dedicated software often lags behind and currently limits fast, reliable and reproducible data analysis and inter laboratory reproducibility. METHODS We have developed new community software 'Easotope' using Java and the Eclipse framework. The objectives were to reduce and normalize complex isotopic data easily using a program that could run on multiple platforms, with a central database to store data and constants, an open architecture giving end users a complete view of the data processing steps, and a permissions system allowing the administrator to empower each user in proportion to their expertise. RESULTS Easotope is now freely available to download, and comprises both a server and a client executable. The server can be run either on a remote machine accessible via the internet, or on a localhost. The client allows users to access the server, and to enter and manipulate data. Easotope currently supports full data storage, data processing and data normalization for bulk isotopes of carbon and oxygen, and for clumped isotopes. CONCLUSIONS Easotope greatly simplifies data processing, reducing processing time to less than a second compared with 30 min when done manually. The software also ensures consistency in data reduction and normalization both within a laboratory and between laboratories. Easotope is designed with the ability to implement other isotopic systems in the future. Copyright (c) 2016 John Wiley Sons, Ltd.
Rapid communications in mass spectrometry RCM