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IMPROVED INFRASTUCTURE FOR CDMS AND JPL MOLECULAR SPECTROSCOPY CATALOGUES C.P. Endres1), S. Schlemmer1), B. Drouin2), J. Pearson2), H.S.P. Müller1), P. Schilke1), J. Stutzki1) 1) I. Physikalisches Institut, Universität zu Köln, Germany 2) JPL, California Institute of Technology, Pasadena, CA, USA M-L. Dubernet, G. Rixon, T. Marquart, C. Hill, M. Doronin, … Christian Endres, Universität zu Köln 69th ISMS, Urbana-Champaign, 2014 CDMS Cologne Database for Molecular Spectroscopy www.cdms.de contains experimental and calculated transition frequencies of molecules and atoms observable by radioastronomical means. • Simplify the access and usability of the provided data – Apply international standards for data access and data output – Cross-correlation of data with other databases • Attract more spectroscopists to publish their data in CDMS – Improve citations and references to the provided data Virtual Atomic and Molecular Datacenter www.vamdc.eu Christian Endres, Universität zu Köln 69th ISMS, Urbana-Champaign, 2014 Christian Endres, Universität zu Köln 69th ISMS, Urbana-Champaign, 2014 VAMDC Infrastructure USER WEB PORTAL CDMS JPL Client Software Hitran Christian Endres, Universität zu Köln Software Libraries Basecol Kida … 69th ISMS, Urbana-Champaign, 2014 VAMDCRegistry VAMDC Infrastructure USER WEB PORTAL Client Software Software Libraries soap-request CDMS JPL Hitran Christian Endres, Universität zu Köln Basecol Kida … 69th ISMS, Urbana-Champaign, 2014 VAMDCRegistry VAMDC Infrastructure USER WEB PORTAL Client Software Software Libraries http-request CDMS JPL Hitran Christian Endres, Universität zu Köln Basecol Kida … 69th ISMS, Urbana-Champaign, 2014 VAMDCRegistry VAMDC Infrastructure USER WEB PORTAL Client Software Software Libraries XSAMS - Document CDMS JPL Hitran Christian Endres, Universität zu Köln Basecol Kida … 69th ISMS, Urbana-Champaign, 2014 VAMDCRegistry Query DB via HTTP-REQUEST Data Access Protocol : TAP-XSAMS Base URL of the database http://cdms.ph1.uni-koeln.de/cdms/tap/sync? LANG=VSS2 &REQUEST=doQuery Output &FORMAT=XSAMS &QUERY=select * where MoleculeStoichiometricFormula = ´CO´ Query string (SQL like) Christian Endres, Universität zu Köln 69th ISMS, Urbana-Champaign, 2014 format VAMDC-XSAMS Modified version of IAEA’s XML Schema for Atoms, Molecules and Solids Allows reliable exchange of spectroscopic and collisional data • Describes physical states as unambiguously as possible • Physically meaningful quantum numbers • Information on data sources and methods → Transformation into any other data format is easy (supported by VAMDC libraries) Christian Endres, Universität zu Köln 69th ISMS, Urbana-Champaign, 2014 User Interfaces • Web-Portals – Official VAMDC – Portal : http://portal.vamdc.eu – CDMS – Portal: http://cdms.ph1.uni-koeln.de (beta-version) • Clients – SPECTCOL (generates input files radiative transfer codes) – myXCLASS Interface for casa – … • Software – libaries See: http://www.vamdc.eu/software Christian Endres, Universität zu Köln 69th ISMS, Urbana-Champaign, 2014 Christian Christian Endres, Endres, Universität Universität zu zu Köln Köln Champain 69th Urbana ISMS, Urbana-Champaign, 2014 Christian Christian Endres, Endres, Universität Universität zu zu Köln Köln Champain 69th Urbana ISMS, Urbana-Champaign, 2014 Christian Christian Endres, Endres, Universität Universität zu zu Köln Köln Champain 69th Urbana ISMS, Urbana-Champaign, 2014 Christian Christian Endres, Endres, Universität Universität zu zu Köln Köln Champain 69th Urbana ISMS, Urbana-Champaign, 2014 Christian Christian Endres, Endres, Universität Universität zu zu Köln Köln Champain 69th Urbana ISMS, Urbana-Champaign, 2014 Christian Christian Endres, Endres, Universität Universität zu zu Köln Köln Champain 69th Urbana ISMS, Urbana-Champaign, 2014 CDMS / JPL: Partition functions for 110 Temperatures < 1000 K Christian Christian Endres, Endres, Universität Universität zu zu Köln Köln Champain 69th Urbana ISMS, Urbana-Champaign, 2014 Christian Endres, Universität zu Köln 69th ISMS, Urbana-Champaign, 2014 … Christian Christian Endres, Endres, Universität Universität zu zu Köln Köln Champain 69th Urbana ISMS, Urbana-Champaign, 2014 Christian Christian Endres, Endres, Universität Universität zu zu Köln Köln Champain 69th Urbana ISMS, Urbana-Champaign, 2014 myXClass Interface for CASA www.astro.uni-koeln.de/projects/schilke/myXCLASSInterface Model astronomical spectra by solving the radiative transfer equation for an isothermal object in LTE in one dimension. Herschel – Hexos survey • – – – • Orion KL Includes: Model optimizer package MAGIX Local sqlite database CDMS/JPL database access via VAMDC Features: – – – Automated line fitting Automated line identification (based on source templates) Partition functions for 110 temperatures Crockett et.al, Astrophys.J. 787(2), 35 (2014) Christian Endres, Universität zu Köln 69th ISMS, Urbana-Champaign, 2014 Christian Endres, Universität zu Köln 69th ISMS, Urbana-Champaign, 2014 SPECTCOL - Client • Retrieve spectroscopic (CDMS / JPL) and collisional data (Basecol) • Combine data • Export data in RADEX – format for radiative transfer codes M.-L. Dubernet, Y. A. Ba, L. Nenadović ASP Conf. Ser. 461, 335 (2012) Christian Endres, Universität zu Köln 69th ISMS, Urbana-Champaign, 2014 SPECTCOL - Client M.-L. Dubernet, Y. A. Ba, L. Nenadović ASP Conf. Ser. 461, 335 (2012) Christian Endres, Universität zu Köln 69th ISMS, Urbana-Champaign, 2014 Contribute to CDMS What has to be provided: • • • • Tabulated transition frequencies Tabulated state energies Description of the quantum numbers Description of the dataset including references Optional • Input files for the applied fit-routine (e.g. spcat) • Experimental line frequencies Mailto: [email protected], [email protected], [email protected] Christian Endres, Universität zu Köln 69th ISMS, Urbana-Champaign, 2014 Acknowledgments • CDMS → 2006 • German ARC node - BMBF • VAMDC + SUP@VAMDC VAMDC is funded under the “Combination of Collaborative Projects and Coordination and Support Actions” Funding Scheme of The Seventh Framework Program. Call topic: INFRA-2008-1.2.2 Scientific Data Infrastructure. Grant Agreement number: 239108. SUP@VAMDC is funded under the “Combination of Coordination and Support Actions” Funding Scheme of The Seventh Framework Program. Call topic: INFRA-2012-3.3 Scientific Data Infrastructure. Grant Agreement number: 313284. Christian Endres, Universität zu Köln 69th ISMS, Urbana-Champaign, 2014