1. EarthChem Solid Earth Geochemistry in Geoinformatics www.earthchem.org

2. Why Do We Need Data Management in Solid Earth Geochemistry?  Geochemical data are essential for answering fundamental questions about the composition, structure, & evolution of the Earth, its oceans, continents, and climate Problems:  Data is dispersed in literature, often not in electronic form  Compilations by investigators are time-consuming, redundant, often incomplete  Missing links among related data  Data is lost due to incomplete publication

3. Data Management in Solid Earth Geochemistry SedDBSedDB

4. PetDB, NAVDAT,GEOROC  Offer the only generally accessible compilations of large volumes of data on the compositional variation of igneous rocks.  Provide desktop access to the entire published geochemical literature within minutes,  allowing researchers to address questions that otherwise would be dropped due to the large effort required to find and compile the data.  allowing students to explore the global dataset within a formerly unimaginable timeframe that can be accommodated in the course schedule.

5. PetDB, NAVDAT, GEOROC  Compile and serve ALL ‘raw’ geochemical data  Share common relational data model (Lehnert et al. 2000)  Data fully integrated  Wide range of sample & analytical metadata  Generally applicable for sample-based petrological and chemical data for rocks  Each value linked to original publication or producer  Compile and serve ALL ‘raw’ geochemical data  Share common relational data model (Lehnert et al. 2000)  Data fully integrated  Wide range of sample & analytical metadata  Generally applicable for sample-based petrological and chemical data for rocks  Each value linked to original publication or producer

6. Interactive, Dynamic Web Interfaces  Select, filter, view, download customized data sets  Explore metadata

7. Other Features (database-specific) Visualization tools (NAVDAT) Interoperability (PetDB) Interactive map interfaces (NAVDAT) Disparate data for individual samples linked via unique sample IDs (PetDB)

8. Data Quality Control Comprehensive analytical metadata  allow proper data quality assessment  can be used as data quality filters Example: PetDB interface

9. Content of PetDB, NAVDAT, GEOROC  > 4 Million individual chemical values  for > ca. 230,000 igneous rock samples  from > 6,300 publications

10. Benefits of Rigorous Scientific Data Management  Maximized Utility of the Geochemical Dataset  Enhanced Data Quality Control  Data Integration & Visualization across the Geosciences  Impact on Science & Education

11. Maximize Utility of the Geochemical Dataset “More than just a timesaver, these databases make it possible to address both global and regional questions that I would otherwise never bother to attempt. The amount of time saved is such that countless ideas cross from the realm of the totally impractical for a busy working scientist into the realm of easy to squeeze into a spare half hour. Simply put, I can now test theoretical ideas against all the world's data, and can readily compare any specific region I am working on to its global counterparts. This is a monumental benefit.” Paul Asimov, California Institute of Technology EarthChem User Survey January 2005

12. Scientific Return  Plank, T.: Constraints from Thorium/Lanthanum on Sediment Recycling at Subduction Zones and the Evolution of the Continents, Journal of Petrology 46, 921-944, 2005.  Ballentine, C.J. et al.: Neon isotopes constrain convection and volatile origin in the Earth's mantle, Nature, 433, 33 – 38, 2005  V. Salters & A. Stracke: Composition of the depleted mantle. G3, 2004  Cipriani, A. et al.: Oceanic crust generated by elusive parents: Sr and Nd isotopes in basalt-peridotite pairs from the Mid-Atlantic Ridge.Geology, 32 (8), 657–660, 2004.  Cipriani, A. et al.: Oceanic crust generated by elusive parents: Sr and Nd isotopes in basalt-peridotite pairs from the Mid-Atlantic Ridge. Geology, 32 (8), 657–660, 2004.  Herzberg, C.: Geodynamic Information in Peridotite Petrology, Journal of Petrology, 45, 2507-2530, 2004  M. Hirschmann et al.: Alkalic magmas generated by partial melting of garnet pyroxenite. Geology 31, 2003  Kellogg, J. B., Jacobsen, S. B., O’Connell, R. J.: Modeling the distribution of isotopic ratios in geochemical reservoirs, Earth Planet. Sci. Letters 217, 2004. >120 papers that cite PetDB & GEOROC

13. Application to Education Application to Education

14. Challenges for Database Providers  Optimize interaction with the data for a broad audience ranging from the casual to the expert user  Efficiently populate databases with legacy and new data  Integrate data with the larger Earth Science dataset  Ensure longevity of data systems

15. The Problem of Distributed Datasets A typical science question: What is the relationship between what is being subducted at the Aleutian trench and what is being erupted in Aleutian volcanoes? Aleutian Volcanics North Pacific (Juan de Fuca Ridge) MORB SedDBSedDB Sediments off the Aleutian Trench  Need Nd, Sr, Pb, Hf isotope ratios, and incompatible trace element compositions

16. Founded in 2003 by R. Carlson, A. Hofmann, K. Lehnert & D. Walker The EarthChem Consortia  Build an integrated data management and information system for solid earth geochemistry,  based on and expanding the collaboration of PetDB, GEOROC, and NAVDAT.  Nurture synergies among projects  Minimize duplication of efforts  Share tools and approaches

17. EarthChem Activities  Community Workshop (October 2003, Carnegie Institution Washington)  Reviewed the current status of data management efforts in Solid Earth Geochemistry  Discussed ways in which these activities can grow and collaborate to best participate in and contribute to the Cyber Infrastructure revolution in the Geosciences  Exhibits & demos at AGU 2003 & 2004 and GSA 2004  Presentations at GSA2003, AGU2004, & various workshops  Session on “Geoinformatics for Geochemistry” at AGU 2004, co- chaired with GERM  Web site at www.earthchem.org

18. EarthChem Priorities  Build the EarthChem portal as a central access point to a system of federated geochemistry databases (One-Stop Shop for Geochemical Data)  Ensure efficient and continuing update and expansion of data holdings Proposal submitted to NSF (EAR I&F) January 2005 K. Lehnert, D. Walker

19. One-Stop-Shop for Geochemical Data EARTHCHEM PORTAL Uniform data submission Search capability across federated databases Standardized & integrated data output Generally applicable tools for DQ assessment & data analysis/visualization Users Geoscience CI Interoperability SedDB and more..

20. Building the One-Stop Shop  Interface federated databases Implement web services: SOAP/XML/WSDL, OAI, OGC Implement web services: SOAP/XML/WSDL, OAI, OGC Standardize metadata (ISO19115, OGC-GML) Standardize metadata (ISO19115, OGC-GML) Systematize nomenclature & vocabulary (ontologies) Systematize nomenclature & vocabulary (ontologies) Register database schemas with GEON? Register database schemas with GEON? Implement unique sample identification through use of the International Geo Sample Number Implement unique sample identification through use of the International Geo Sample Number  Build user interfaces with flexible data selection and extraction, tiered for different levels of expertise  Use customized GEON Portal technology?  Use EarthChem map viewer, GeoMapApp browser, or other tools to integrate with other data types such as seismic tomography, gravity, structural features, etc.  Provide tools for data evaluation such as  interactive discriminant plots, P/T calculators, data quality filters

21. The Bottleneck: Data Entry  Difficult to find knowledgeable data managers  Missing metadata (e.g. locations, analytical info)  No unique sample identification  Missing standards for data presentation (e.g. units)  Unavailable data files  Errors in original data tables  Missing cooperation from authors EXPENSIVE!

22. Efficient Update & Expansion of Data Holdings  Encourage direct data contributions from the community  Build on-line data submission capability for future data (compliance with data policies for science programs!)  Provide services for on-line storage of routine data about analytical procedures (“MyEarthChem”)  Facilitate incorporation of existing large data compilations  Provide technical assistance to investigators who want to compile new datasets

23. Facilitate Community Contributions  Assist contributors with design, implementation, & population of databases.  Serve databases via the EarthChem portal. Contributed datasets will retain their identity within the EarthChem system. PILOT PROJECT “A relational database of the Mexican Volcanic Belt” Straub, Ferrari, Langmuir

24. Expansion of Data Holdings  Generate additional datasets  Identify and prioritize new target datasets through community outreach and the EarthChem Advisory Committee  Data entry by dedicated EarthChem personnel

25. Integration with Science & GeoInformatics Marine Geoscience DMS JANUSJANUS PANGAEA CHRONOS

26. A User’s Vision “… in theory the best thing would be one big Geo-database where all different types of geochemical reservoirs are included and all analytical tools as well and where you can search for either regions or reservoir type or method... ok that’s a big goal.”