EarthChem Solid Earth Geochemistry in Geoinformatics .

EarthChemEarthChemSolid Earth Geochemistry in Solid Earth Geochemistry in GeoinformaticsGeoinformatics

www.earthchem.orgwww.earthchem.org

Why Do We Need Data Management in Why Do We Need Data Management in Solid Earth Geochemistry? Solid Earth Geochemistry?

Geochemical data are essential for answering Geochemical data are essential for answering fundamental questions about the composition, structure, & fundamental questions about the composition, structure, & evolution of the Earth, its oceans, continents, and climateevolution of the Earth, its oceans, continents, and climate

Problems:Problems: Data is dispersed in literature, often not in electronic formData is dispersed in literature, often not in electronic form Compilations by investigators are time-consuming, Compilations by investigators are time-consuming,

redundant, often incompleteredundant, often incomplete Missing links among related dataMissing links among related data Data is lost due to incomplete publicationData is lost due to incomplete publication

Data Management in Solid Earth Geochemistry Data Management in Solid Earth Geochemistry

SedDBSedDBSedDBSedDB

PetDB, NAVDAT,GEOROC PetDB, NAVDAT,GEOROC

Offer the only generally accessible compilations Offer the only generally accessible compilations of large volumes of data on the compositional of large volumes of data on the compositional variation of igneous rocks.variation of igneous rocks.

Provide desktop access to the entire published Provide desktop access to the entire published geochemical literature within minutes, geochemical literature within minutes, allowing researchers to address questions that allowing researchers to address questions that

otherwise would be dropped due to the large effort otherwise would be dropped due to the large effort required to find and compile the data.required to find and compile the data.

allowing students to explore the global dataset within allowing students to explore the global dataset within a formerly unimaginable timeframe that can be a formerly unimaginable timeframe that can be accommodated in the course schedule.accommodated in the course schedule.

PetDB, NAVDAT, GEOROCPetDB, NAVDAT, GEOROC

Compile and serve ALL ‘raw’ geochemical data Compile and serve ALL ‘raw’ geochemical data Share common relational data model Share common relational data model (Lehnert et al. 2000)(Lehnert et al. 2000)

Data fully integrated Data fully integrated Wide range of sample & analytical metadataWide range of sample & analytical metadata Generally applicable for sample-based petrological and Generally applicable for sample-based petrological and

chemical data for rockschemical data for rocks Each value linked to original publication or producerEach value linked to original publication or producer

Compile and serve ALL ‘raw’ geochemical data Compile and serve ALL ‘raw’ geochemical data Share common relational data model Share common relational data model (Lehnert et al. 2000)(Lehnert et al. 2000)

Data fully integrated Data fully integrated Wide range of sample & analytical metadataWide range of sample & analytical metadata Generally applicable for sample-based petrological and Generally applicable for sample-based petrological and

chemical data for rockschemical data for rocks Each value linked to original publication or producerEach value linked to original publication or producer

Interactive, Dynamic WebInteractive, Dynamic Web InterfacesInterfaces

Select, filter, view, download customized data Select, filter, view, download customized data setssets

Explore metadataExplore metadata

Other Features (database-specific)Other Features (database-specific)

Visualization tools Visualization tools (NAVDAT)(NAVDAT)Visualization tools Visualization tools (NAVDAT)(NAVDAT)

Interoperability Interoperability (PetDB)(PetDB)Interoperability Interoperability (PetDB)(PetDB)

Interactive map Interactive map interfaces interfaces (NAVDAT)(NAVDAT)

Interactive map Interactive map interfaces interfaces (NAVDAT)(NAVDAT)

Disparate data for Disparate data for individual samples linked individual samples linked via unique sample IDs via unique sample IDs (PetDB)(PetDB)

Disparate data for Disparate data for individual samples linked individual samples linked via unique sample IDs via unique sample IDs (PetDB)(PetDB)

Data Quality ControlData Quality Control

Comprehensive analytical metadataComprehensive analytical metadataComprehensive analytical metadataComprehensive analytical metadata

allow proper data quality assessmentallow proper data quality assessment

can be used as data quality filterscan be used as data quality filters

Example: PetDB interfaceExample: PetDB interface

Content of PetDB, NAVDAT, GEOROCContent of PetDB, NAVDAT, GEOROC

> 4 Million individual > 4 Million individual chemical values chemical values

for > ca. 230,000 for > ca. 230,000 igneous rock samplesigneous rock samples

from > 6,300 publicationsfrom > 6,300 publications

Benefits of Benefits of Rigorous Scientific Data ManagementRigorous Scientific Data Management

Maximized Utility of the Geochemical DatasetMaximized Utility of the Geochemical Dataset

Enhanced Data Quality ControlEnhanced Data Quality Control

Data Integration & Visualization across the GeosciencesData Integration & Visualization across the Geosciences

Impact on Science & EducationImpact on Science & Education

Maximize Utility of the Geochemical DatasetMaximize Utility of the Geochemical Dataset

““More than just a timesaver, these databases More than just a timesaver, these databases make it possible to address both global and make it possible to address both global and regional questions that I would otherwise never regional questions that I would otherwise never bother to attempt. bother to attempt.

The amount of time saved is such that The amount of time saved is such that countless ideas cross from the realm of the countless ideas cross from the realm of the totally impractical for a busy working scientist totally impractical for a busy working scientist into the realm of easy to squeeze into a spare into the realm of easy to squeeze into a spare half hour.half hour.

Simply put, I can now test theoretical ideas Simply put, I can now test theoretical ideas against all the world's data, and can readily against all the world's data, and can readily compare any specific region I am working on to compare any specific region I am working on to its global counterparts. This is a monumental its global counterparts. This is a monumental benefit.”benefit.”

Paul Asimov, California Institute of TechnologyPaul Asimov, California Institute of TechnologyEarthChem User Survey January 2005EarthChem User Survey January 2005

Scientific ReturnScientific Return

Plank, T.: Plank, T.: Constraints from Thorium/Lanthanum on Sediment Recycling Constraints from Thorium/Lanthanum on Sediment Recycling at Subduction Zones and the Evolution of the Continentsat Subduction Zones and the Evolution of the Continents, Journal of , Journal of Petrology 46, 921-944, 2005.Petrology 46, 921-944, 2005.

Ballentine, C.J. et al.: Ballentine, C.J. et al.: Neon isotopes constrain convection and volatile Neon isotopes constrain convection and volatile origin in the Earth's mantle, origin in the Earth's mantle, Nature, 433, 33 – 38, 2005Nature, 433, 33 – 38, 2005

V. Salters & A. Stracke:V. Salters & A. Stracke: Composition of the depleted mantle. G3, 2004 Composition of the depleted mantle. G3, 2004

Cipriani, A. et al.: Cipriani, A. et al.: Oceanic crust generated by elusive parents: Sr and Nd Oceanic crust generated by elusive parents: Sr and Nd

isotopes in basalt-peridotite pairs from the Mid-Atlantic Ridge.isotopes in basalt-peridotite pairs from the Mid-Atlantic Ridge. Geology, Geology, 32 (8), 657–660, 2004.32 (8), 657–660, 2004.

Herzberg, C.: Herzberg, C.: Geodynamic Information in Peridotite Petrology, Geodynamic Information in Peridotite Petrology, Journal of Journal of Petrology, 45, 2507-2530, 2004Petrology, 45, 2507-2530, 2004

M. Hirschmann et al.: M. Hirschmann et al.: Alkalic magmas generated by partial melting of Alkalic magmas generated by partial melting of garnet pyroxenite.garnet pyroxenite. Geology 31, 2003 Geology 31, 2003

Kellogg, J. B., Jacobsen, S. B., O’Connell, R. J.:Kellogg, J. B., Jacobsen, S. B., O’Connell, R. J.: Modeling the Modeling the distribution of isotopic ratios in geochemical reservoirs, distribution of isotopic ratios in geochemical reservoirs, Earth Planet. Sci. Earth Planet. Sci. Letters 217, 2004.Letters 217, 2004.

>120 papers that cite PetDB & GEOROC>120 papers that cite PetDB & GEOROC

Application to EducationApplication to Education

Challenges for Database ProvidersChallenges for Database Providers

Optimize interaction with the data for a broad audience Optimize interaction with the data for a broad audience ranging from the casual to the expert userranging from the casual to the expert user

Efficiently populate databases with legacy and new dataEfficiently populate databases with legacy and new data

Integrate data with the larger Earth Science datasetIntegrate data with the larger Earth Science dataset

Ensure longevity of data systemsEnsure longevity of data systems

The Problem of Distributed DatasetsThe Problem of Distributed DatasetsA typical science question:A typical science question:

What is the relationship between what is being subducted at the Aleutian trench What is the relationship between what is being subducted at the Aleutian trench and what is being erupted in Aleutian volcanoes?and what is being erupted in Aleutian volcanoes?

Aleutian VolcanicsAleutian Volcanics

North Pacific (Juan de North Pacific (Juan de Fuca Ridge) MORBFuca Ridge) MORB

SedDBSedDBSedDBSedDB

Sediments off the Sediments off the Aleutian TrenchAleutian Trench

Need Nd, Sr, Pb, Hf isotope ratios, and incompatible trace element compositionsNeed Nd, Sr, Pb, Hf isotope ratios, and incompatible trace element compositions

Founded in 2003 Founded in 2003 by R. Carlson, A. Hofmann, K. Lehnert & D. Walkerby R. Carlson, A. Hofmann, K. Lehnert & D. Walker

The EarthChem ConsortiaThe EarthChem Consortia

Build an integrated data management and information Build an integrated data management and information system for solid earth geochemistry,system for solid earth geochemistry,

based on and expanding the collaboration of PetDB, based on and expanding the collaboration of PetDB, GEOROC, and NAVDAT.GEOROC, and NAVDAT.

Nurture synergies among projectsNurture synergies among projects Minimize duplication of effortsMinimize duplication of efforts Share tools and approachesShare tools and approaches

EarthChem ActivitiesEarthChem Activities Community Workshop Community Workshop (October 2003, Carnegie Institution (October 2003, Carnegie Institution

Washington)Washington) Reviewed the current status of data management efforts in Solid Earth Reviewed the current status of data management efforts in Solid Earth

GeochemistryGeochemistry Discussed ways in which these activities can grow and collaborate to Discussed ways in which these activities can grow and collaborate to

best participate in and contribute to the Cyber Infrastructure revolution best participate in and contribute to the Cyber Infrastructure revolution in the Geosciencesin the Geosciences

Exhibits & demos at AGU 2003 & Exhibits & demos at AGU 2003 & 2004 and GSA 20042004 and GSA 2004

Presentations at GSA2003, Presentations at GSA2003, AGU2004, & various workshopsAGU2004, & various workshops

Session on “Geoinformatics for Session on “Geoinformatics for Geochemistry” at AGU 2004, co-Geochemistry” at AGU 2004, co-chaired with GERMchaired with GERM

Web site at Web site at www.earthchem.orgwww.earthchem.org

EarthChem PrioritiesEarthChem Priorities

Build the EarthChem portal as a Build the EarthChem portal as a central access point to a system of central access point to a system of federated geochemistry databases federated geochemistry databases (One-Stop Shop for Geochemical Data)(One-Stop Shop for Geochemical Data)

Ensure efficient and continuing update Ensure efficient and continuing update and expansion of data holdingsand expansion of data holdings

Proposal submitted to NSF (EAR I&F) January 2005Proposal submitted to NSF (EAR I&F) January 2005K. Lehnert, D. WalkerK. Lehnert, D. Walker

One-Stop-Shop for Geochemical DataOne-Stop-Shop for Geochemical Data

EARTHCHEM PORTALUniform data submissionUniform data submission

Search capability across federated databasesSearch capability across federated databasesStandardized & integrated data outputStandardized & integrated data output

Generally applicable tools for DQ assessment & data analysis/visualizationGenerally applicable tools for DQ assessment & data analysis/visualization

UsersUsers Geoscience CIGeoscience CI

Interoperability

SedDBSedDBand more..

Building the One-Stop ShopBuilding the One-Stop Shop Interface federated databasesInterface federated databases

• Implement web services: SOAP/XML/WSDL, OAI, OGCImplement 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 Implement unique sample identification through use of the

International Geo Sample NumberInternational Geo Sample Number

Build user interfaces with flexible data selection and Build user interfaces with flexible data selection and extraction, tiered for different levels of expertiseextraction, tiered for different levels of expertise Use customized GEON Portal technology?Use customized GEON Portal technology?

Use EarthChem map viewer, GeoMapApp browser, or Use EarthChem map viewer, GeoMapApp browser, or other tools to integrate with other data types such as other tools to integrate with other data types such as seismic tomography, gravity, structural features, etc.seismic tomography, gravity, structural features, etc.

Provide tools for data evaluation such asProvide tools for data evaluation such as interactive discriminant plots, P/T calculators, data quality filtersinteractive discriminant plots, P/T calculators, data quality filters

The Bottleneck: Data The Bottleneck: Data EntryEntry

Difficult to find knowledgeable data Difficult to find knowledgeable data managersmanagers

Missing metadata (e.g. locations, Missing metadata (e.g. locations, analytical info)analytical info)

No unique sample identificationNo unique sample identification

Missing standards for data Missing standards for data presentation (e.g. units)presentation (e.g. units)

Unavailable data filesUnavailable data files

Errors in original data tablesErrors in original data tables

Missing cooperation from authorsMissing cooperation from authors

EXPENSIVE!EXPENSIVE!

Efficient Update & Expansion of Data HoldingsEfficient Update & Expansion of Data Holdings

Encourage direct data contributions from the Encourage direct data contributions from the communitycommunityBuild on-line data submission capability for future data Build on-line data submission capability for future data

(compliance with data policies for science programs!)(compliance with data policies for science programs!)Provide services for on-line storage of routine data Provide services for on-line storage of routine data

about analytical procedures (“MyEarthChem”)about analytical procedures (“MyEarthChem”)Facilitate incorporation of existing large data Facilitate incorporation of existing large data

compilationscompilationsProvide technical assistance to investigators who want Provide technical assistance to investigators who want

to compile new datasetsto compile new datasets

Facilitate Community ContributionsFacilitate Community Contributions

Assist contributors with Assist contributors with design, implementation, & design, implementation, & population of databases.population of databases.

Serve databases via the Serve databases via the EarthChem portal.EarthChem portal.

Contributed datasets will Contributed datasets will retain their identity within retain their identity within the EarthChem system.the EarthChem system.

PILOT PROJECTPILOT PROJECT““A relational database of the A relational database of the

Mexican Volcanic Belt”Mexican Volcanic Belt”Straub, Ferrari, LangmuirStraub, Ferrari, Langmuir

Expansion of Data HoldingsExpansion of Data Holdings

Generate additional datasetsGenerate additional datasets Identify and prioritize new target datasets Identify and prioritize new target datasets

through community outreach and the through community outreach and the EarthChem Advisory CommitteeEarthChem Advisory Committee

Data entry by dedicated EarthChem Data entry by dedicated EarthChem personnelpersonnel

Integration with Science & GeoInformaticsIntegration with Science & GeoInformatics

Marine Geoscience

DMSJANUSJANUSJANUSJANUS

PANGAEA

CHRONOSCHRONOS

A User’s VisionA User’s Vision

“… “… in theory the best thing would be one in theory the best thing would be one big Geo-database where all different types big Geo-database where all different types of geochemical reservoirs are included of geochemical reservoirs are included and all analytical tools as well and where and all analytical tools as well and where you can search for either regions or you can search for either regions or reservoir type or method... reservoir type or method...

ok that’s a big goal.”ok that’s a big goal.”