christian endres, universität zu köln 69 th isms, urbana-champaign, 2014 improved infrastucture...

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

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)

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


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


Cologne Database for Molecular Spectroscopywww.cdms.de


VAMDC Infrastructure

CDMS JPL Hitran Kida

WEB - PORTAL

VAMDC-Registry

ClientSoftware

USER

…

SoftwareLibraries

Basecol




WEB - PORTAL

VAMDC-Registry

ClientSoftware

USER

…

SoftwareLibraries

Basecol

soap-request




WEB - PORTAL

VAMDC-Registry

ClientSoftware

USER

…

SoftwareLibraries

Basecol

http-request




WEB - PORTAL

VAMDC-Registry

ClientSoftware

USER

…

SoftwareLibraries

Basecol

XSAMS - Document


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

http://cdms.ph1.uni-koeln.de/cdms




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)


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

http://portal.vamdc.eu/

http://cdms.ph1.uni-koeln.de/


Christian Endres, Universität zu Köln Urbana Champain



CDMS / JPL: Partition functions for 110 Temperatures < 1000 K



…


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


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


SPECTCOL - Client

M.-L. Dubernet, Y. A. Ba, L. Nenadović ASP Conf. Ser. 461, 335 (2012)


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]

mailto:[email protected]




• 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.

christian endres, universität zu köln 69 th isms, urbana-champaign, 2014 improved infrastucture...

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