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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 Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
C.P. Endres1), S. Schlemmer1), B. Drouin2), J. Pearson2), H.S.P. Müller1), P. Schilke1), J. Stutzki1)
M-L. Dubernet, G. Rixon, T. Marquart, C. Hill, M. Doronin, …
1) I. Physikalisches Institut, Universität zu Köln, Germany2) JPL, California Institute of Technology, Pasadena, CA, USA
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
CDMScontains 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 Datacenterwww.vamdc.eu
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
Cologne Database for Molecular Spectroscopywww.cdms.de
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
VAMDC Infrastructure
CDMS JPL Hitran Kida
WEB - PORTAL
VAMDC-Registry
ClientSoftware
USER
…
SoftwareLibraries
Basecol
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
VAMDC Infrastructure
CDMS JPL Hitran Kida
WEB - PORTAL
VAMDC-Registry
ClientSoftware
USER
…
SoftwareLibraries
Basecol
soap-request
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
VAMDC Infrastructure
CDMS JPL Hitran Kida
WEB - PORTAL
VAMDC-Registry
ClientSoftware
USER
…
SoftwareLibraries
Basecol
http-request
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
VAMDC Infrastructure
CDMS JPL Hitran Kida
WEB - PORTAL
VAMDC-Registry
ClientSoftware
USER
…
SoftwareLibraries
Basecol
XSAMS - Document
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
Query DB via HTTP-REQUEST
http://cdms.ph1.uni-koeln.de/cdms/tap/sync?
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
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
VAMDC-XSAMSModified 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 69 th 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 69 th ISMS, Urbana-Champaign, 2014
Christian Endres, Universität zu Köln Urbana Champain
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
Christian Endres, Universität zu Köln Urbana Champain
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
Christian Endres, Universität zu Köln Urbana Champain
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
Christian Endres, Universität zu Köln Urbana Champain
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
Christian Endres, Universität zu Köln Urbana Champain
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
Christian Endres, Universität zu Köln Urbana Champain
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
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
Christian Endres, Universität zu Köln Urbana Champain
…
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
Christian Endres, Universität zu Köln Urbana Champain
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 by solving the radiative transfer equation for an isothermal object in LTE in one dimension.
www.astro.uni-koeln.de/projects/schilke/myXCLASSInterface
Crockett et.al, Astrophys.J. 787(2), 35 (2014)
Orion KLHerschel – Hexos survey
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
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)
• Retrieve spectroscopic (CDMS / JPL) and collisional data (Basecol)
• Combine data
• Export data in RADEX – format for radiative transfer codes
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)
Christian Endres, Universität zu Köln 69 th ISMS, Urbana-Champaign, 2014
Contribute to CDMSWhat 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 69 th ISMS, Urbana-Champaign, 2014
• CDMS → 2006
• German ARC node - BMBF
• VAMDC + SUP@VAMDC
Acknowledgments
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.
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.