Automating U-Pb IDTIMS data reduction and reporting: Cyberinfrastructure meets geochronology

We demonstrate the efficacy of an interdisciplinary effort between software engineers and geochemists to produce working cyberinfrastructure for geochronology. This collaboration between CIRDLES, EARTHTIME and EarthChem has produced the software programs Tripoli and U-Pb_Redux as the cyber-backbone for the ID-TIMS community. This initiative incorporates shared isotopic tracers, data-reduction algorithms and the archiving and retrieval of data and results. The resulting system facilitates detailed inter-laboratory comparison and a new generation of cooperative science. The resolving power of geochronological data in the earth sciences is dependent on the precision and accuracy of many isotopic measurements and corrections. Recent advances in U-Pb geochronology have reinvigorated its application to problems such as precise timescale calibration, processes of crustal evolution, and early solar system dynamics. This project provides a heretofore missing common data reduction protocol, thus promoting the interpretation of precise geochronology and enabling inter-laboratory comparison. U-Pb_Redux is an open-source software program that provides end-to-end support for the analysis of uranium-lead geochronological data. The system reduces raw mass spectrometer data to U-Pb dates, allows users to interpret ages from these data, and then provides for the seamless federation of the results, coming from many labs, into a community web-accessible database using standard and open techniques. This EarthChem GeoChron database depends also on keyed references to the SESAR sample database. U-Pb_Redux currently provides interactive concordia and weighted mean plots and uncertainty contribution visualizations; it produces publication-quality concordia and weighted mean plots and customizable data tables. This initiative has achieved the goal of standardizing the data elements of a complete reduction and analysis of uranium-lead data, which are expressed using extensible markup language schema definition (XSD) artifacts. U-Pb_Redux leverages the freeware program Tripoli, which imports raw mass spectrometer data files and supports interactive review and archiving of isotopic data. Tripoli facilitates the visualization of temporal trends and scatter during measurement, statistically rigorous filtering of data and supports oxide and fractionation corrections. The Cyber Infrastructure Research and Development Lab for the Earth Sciences (CIRDLES) collaboratively integrates domain-specific software engineering with the efforts EARTHTIME and Earthchem. The EARTHTIME initiative pursues consensus-based approaches to geochemical data reduction, and the EarthChem initiative pursues the creation of data repositories for all geochemical data. CIRDLES develops software and systems for geochronology. This collaboration benefits the earth sciences by enabling geochemists to focus on their specialties using robust software that produces reliable results. This collaboration benefits software engineering by providing research opportunities to improve process methodologies used in the design and implementation of domain-specific solutions.