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Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 IMPROVED INFRASTUCTURE FOR CDMS AND JPL MOLECULAR SPECTROSCOPY CATALOGUES Christian.

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Presentation on theme: "Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 IMPROVED INFRASTUCTURE FOR CDMS AND JPL MOLECULAR SPECTROSCOPY CATALOGUES Christian."— Presentation transcript:

1 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 IMPROVED INFRASTUCTURE FOR CDMS AND JPL MOLECULAR SPECTROSCOPY CATALOGUES Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 C.P. Endres 1), S. Schlemmer 1), B. Drouin 2), J. Pearson 2), H.S.P. Müller 1), P. Schilke 1), J. Stutzki 1) M-L. Dubernet, G. Rixon, T. Marquart, C. Hill, M. Doronin, … 1) I. Physikalisches Institut, Universität zu Köln, Germany 2) JPL, California Institute of Technology, Pasadena, CA, USA

2 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 CDMS 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 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 Cologne Database for Molecular Spectroscopy

3 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014

4 VAMDC Infrastructure CDMS JPL Hitran Kida WEB - PORTAL VAMDC- Registry Client Software Client Software USER … … Software Libraries Software Libraries Basecol

5 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 VAMDC Infrastructure CDMS JPL Hitran Kida WEB - PORTAL VAMDC- Registry Client Software Client Software USER … … Software Libraries Software Libraries Basecol soap-request

6 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 VAMDC Infrastructure CDMS JPL Hitran Kida WEB - PORTAL VAMDC- Registry Client Software Client Software USER … … Software Libraries Software Libraries Basecol http-request

7 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 VAMDC Infrastructure CDMS JPL Hitran Kida WEB - PORTAL VAMDC- Registry Client Software Client Software USER … … Software Libraries Software Libraries Basecol XSAMS - Document

8 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 Query DB via HTTP-REQUEST LANG=VSS2 &REQUEST=doQuery &FORMAT=XSAMS &QUERY=select * where MoleculeStoichiometricFormula = ´CO´ Query string (SQL like) Base URL of the database Output format Data Access Protocol : TAP-XSAMS

9 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 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)

10 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 User Interfaces Web-Portals –Official VAMDC – Portal : –CDMS – Portal: (beta-version )http://cdms.ph1.uni-koeln.de Clients –SPECTCOL (generates input files radiative transfer codes) –myXCLASS Interface for casa –… Software – libaries See:

11 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 Christian Endres, Universität zu Köln Urbana Champain

12 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 Christian Endres, Universität zu Köln Urbana Champain

13 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 Christian Endres, Universität zu Köln Urbana Champain

14 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 Christian Endres, Universität zu Köln Urbana Champain

15 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 Christian Endres, Universität zu Köln Urbana Champain

16 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 Christian Endres, Universität zu Köln Urbana Champain

17 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 Christian Endres, Universität zu Köln Urbana Champain CDMS / JPL: Partition functions for 110 Temperatures < 1000 K

18 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014

19 Christian Endres, Universität zu Köln Urbana Champain …

20 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 Christian Endres, Universität zu Köln Urbana Champain

21 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 myXClass Interface for CASA 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 Model astronomical spectra Model astronomical spectra by solving the radiative transfer equation for an isothermal object in LTE in one dimension. Crockett et.al, Astrophys.J. 787(2), 35 (2014) Orion KL Herschel – Hexos survey

22 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014

23 SPECTCOL - Client M.-L. Dubernet, Y. A. Ba, L. Nenadović ASP Conf. Ser. 461, 335 (2012) Retrieve spectroscopic (CDMS / JPL) and collisional data (Basecol) Combine data Export data in RADEX – format for radiative transfer codes

24 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 SPECTCOL - Client M.-L. Dubernet, Y. A. Ba, L. Nenadović ASP Conf. Ser. 461, 335 (2012)

25 Christian Endres, Universität zu Köln 69 th 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:

26 Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014 CDMS → 2006 German ARC node - BMBF VAMDC + Acknowledgments is funded under the “Combination of Coordination and Support Actions” Funding Scheme of The Seventh Framework Program. Call topic: INFRA Scientific Data Infrastructure. Grant Agreement number: VAMDC is funded under the “Combination of Collaborative Projects and Coordination and Support Actions” Funding Scheme of The Seventh Framework Program. Call topic: INFRA Scientific Data Infrastructure. Grant Agreement number:


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