Community software for challenging isotope analysis: first applications of ‘Easotope’ to clumped isotopes
File(s)JohnBowenR2c.docx (60.6 KB)
Accepted version
Author(s)
John, CM
Bowen, D
Type
Journal Article
Abstract
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 lag 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 administrator to empower each user in proportion to their expertise.
Results: Easotope is now freely available to download, and comprise 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 minutes 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.
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 administrator to empower each user in proportion to their expertise.
Results: Easotope is now freely available to download, and comprise 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 minutes 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.
Date Issued
2016-11-15
Date Acceptance
2016-08-10
Citation
Rapid Communications in Mass Spectrometry, 2016, 30 (21), pp.2285-2300
ISSN
0951-4198
Publisher
Wiley
Start Page
2285
End Page
2300
Journal / Book Title
Rapid Communications in Mass Spectrometry
Volume
30
Issue
21
Copyright Statement
© 2016 John Wiley & Sons, Ltd. All rights reserved. This is the accepted version of the following article: John, C. M., and Bowen, D. (2016) Community Software for Challenging Isotope Analysis: First Applications of ‘Easotope’ to Clumped Isotopes. Rapid Commun. Mass Spectrom., which has been published in final form at http://dx.doi.org/10.1002/rcm.7720.
Sponsor
Total E&P UK Limited
Identifier
https://onlinelibrary.wiley.com/doi/abs/10.1002/rcm.7720
Grant Number
4200059621
Subjects
Science & Technology
Life Sciences & Biomedicine
Physical Sciences
Technology
Biochemical Research Methods
Chemistry, Analytical
Spectroscopy
Biochemistry & Molecular Biology
Chemistry
CARBONATE MINERALS
MASS-SPECTROMETRY
C-13-O-18 BONDS
CO2
PRECISION
FRACTIONATION
EQUILIBRIUM
THERMOMETRY
CALIBRATION
OXYGEN
03 Chemical Sciences
04 Earth Sciences
06 Biological Sciences
Analytical Chemistry
Publication Status
Published
Date Publish Online
2016-08-14