1. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 1 Anthony J. Remijan NRAO Assistant Scientist – ALMA Commissioning Andrew J. Markwick-Kemper (University of Manchester), ALMA Working Group on Spectral Line Frequencies 63rd Ohio State University International Symposium on Molecular Spectroscopy Columbus, OH June 19, 2008 Updates, applications and availability

2. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 –The concept for Splatalogue was built on a need for specifically ALMA to have the most up-to-date and complete spectral line catalog. –The current way telescopes include catalogs is to download a publicly available line list and import it into Observing tool Proposal tool Data reduction tool (GBDish, GBTIDL, CASA, MIRIAD) –This is problematic because there are pros and cons associated with each list (e.g. Lovas NIST only observed lines). So, why not include all of them all AND lists from others around the world? –More often than not, there is very little management of the catalogs by the developers of these tools.

3. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 Comito et al. 2005 Orion KL Survey Results

4. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 Passband taken with ALMA Band 6 at the SMT

5. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 Life Before Splatalogue... Spectral Line data that are made publically available are maintained by 3 groups: –The Jet Propulsion Laboratory Molecular Spectroscopy: http://spec.jpl.nasa.gov/ –The Cologne Database of Molecular Spectroscopy: http://www.ph1.uni-koeln.de/vorhersagen/ –The National Institute of Standards and Technology Lovas List: http://physics.nist.gov/cgi-bin/micro/table5/start.pl These 3 databases combined: Provide identifications of >3 million spectral lines in >600 molecular species and associated isotopomers.

6. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 What is ? It is NOT just another website! What it is... Extension of the JPL and CDMS lists with resolved QNs, line strengths, etc that can easily be explained and used by a novice observer. Update of the Lovas/NIST list of observed astronomical transitions including running a series of diagnostics on the existing list searching for inconsistencies, errors and omissions. In addition, adding nearly 1200 additional lines from current line surveys bringing the total number of spectral features detected in astronomical environments to 12,333. Any future updates or additions to this list will be made by A. Remijan and the AWGonSLF. Including the Lovas Spectral Line Atlas of Interstellar Molecules (SLAIM) list, Added over 229,000 new lines and transitions of new molecules including fits to isotopomers and vibrational states of species not covered in JPL and CDMS. SLAIM will only be distributed via Splatalogue; any future additions or corrections will be made through Splatalogue. Splatalogue adds atomic and recombination lines (H, He, C), template spectra (Turner, Nummelin, Friedel, PRIMOS). Contains the ability to model spectra (LTE, <<optical depth) and upload and compare to observer data. Is completely VO-compliant, queryable under the IVOA SLAP standard.

7. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008...VO-compliant, queryable under the IVOA SLAP standard. From a querying point-of-view, Splatalogue has two major modes of operation: –User-friendly (a PHP based web interface – major overhauls continue)‏ –application- friendly (IVOA-compliant queries in VO-table XML)‏

8. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 The PHP based web interface with new functionality

9. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 VO-table XML Example XML output for SiO v=3 1-0

10. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 What is ? Why is it necessary... A spectral line database needs to be available that is descriptive as possible in the way it represents molecular, atomic and recombination line transitions in order to satisfy the needs of the astronomical community. This will be absolutely critical to satisfy the needs of ALMA, GBT, EVLA, Herschel, CSO, CCAT?, etc. If we are ever going to try and characterized regions of high spectral line density including HMCs and PPNe, we need the most accurate spectroscopic data available to the astronomical community and the tools to use that data to generate model spectra. In addition, lab astrophysics will need to disseminate their data as easily and quickly as possible for use. Splatalogue and the AWGonSLF fits the needs of both the lab and observing communities.

11. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 What makes Splatalogue Different? An Achievable Goal with Global Cooperation When completed Splatalogue will contain all the known spectral line data currently archived from labs all over the world - JPL, CDMS, Lovas NIST, individual (SLAIM), recombination, atomic, individual (>700 species). Will be easily accessible via many different applications java (SLiSE), perl, the ALMA archive, CASA...you always have the most up-to-date data! Many different search options will be available The linelists on which the Splatalogue builds are primarily ordered by species then frequency. The Splatalogue is different – it is ordered by species then transition, which is more sensible. In this way, every observation, calculation or measurement of a transition can be easily cross-referenced against that table. It is the only database fully VO compliant.

12. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 Splatalogue and the AWGSLF In order to undertake such an effort to provide the astronomical community with the tools they need to conduct their research in spectral line astrophysics, the ALMA Working Group on Spectral Line Frequencies (AWGSLF) was convened on Thursday, July 27 2006. Mission Statement “The ALMA Working Group on Spectral Line Frequencies is dedicated to generating a collated and rationalized database of spectral line frequencies, transitions and line strengths from radio to infrared wavelengths that can be freely accessed and used by the entire astronomical community interested in spectral line astrophysics.”

13. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 First public release (alpha release) February 2007 at (www.splatalogue.net) First public release (alpha release) February 2007 at (www.splatalogue.net) “Beta” release in February 2008 at (www.splatalogue.net)‏“Beta” release in February 2008 at (www.splatalogue.net)‏ The Splatalogue database currently holds the following information: The Splatalogue database currently holds the following information: Over 3.9 million transitions of over 850 molecular species Over 3.9 million transitions of over 850 molecular species Information on each transition of whether it is a calculated or measured frequency and where the transition information of each molecular species was obtained. Information on each transition of whether it is a calculated or measured frequency and where the transition information of each molecular species was obtained. Every molecular transition detected in astronomical environments (Updated Lovas/NIST list – 12333 transitions)‏ Every molecular transition detected in astronomical environments (Updated Lovas/NIST list – 12333 transitions)‏ A complete list of H, He and C recombination line frequencies A complete list of H, He and C recombination line frequencies NRAO Recommended Rest Frequencies for known/highly probable astronomical molecules NRAO Recommended Rest Frequencies for known/highly probable astronomical molecules The Splatalogue website was updated and revised in July 2007. Frank Lovas from NIST worked at NRAO along with William Cassidy (software engineer) to reflect the distinct search capabilities available to the database. These include:The Splatalogue website was updated and revised in July 2007. Frank Lovas from NIST worked at NRAO along with William Cassidy (software engineer) to reflect the distinct search capabilities available to the database. These include: Search filters for atmospheric, potential (unlikely), probable and known astronomical molecules Search filters for atmospheric, potential (unlikely), probable and known astronomical molecules Various units of line strengths, energy levels, resolved QNs. Various units of line strengths, energy levels, resolved QNs. Algorithms for resolving QNs and line strength values. Algorithms for resolving QNs and line strength values.

14. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 Atmospheric Molecule – Self explanatory (omitted from search by default)‏ “Potential” Astronomical Molecule –These species have the potential to be found in astronomical environments but only through a dedicated search and are unlikely to appear in cursory spectral line surveys. Such molecules include amino-ethanol, GLYCINE conformers! –Omitted from search by default “Probable” Astronomical Molecules –These species are mostly isotopomers or higher vibrational states of known astronomical molecules that given the high sensitivity of existing and future receivers, may show up in spectral line passbands. Such molecules include, high v states of CO, SiO, SiS, CS, etc… 13 isotopes of ethyl cyanide and methyl formate. –These are included in a search by default “Known” Astronomical Molecules – Self explanatory (included in search by default)‏

15. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 Plans and Progress: 2007:2007: –additional’ transition data compiled – Lovas SLAIM Added >229,000 lines to the database including transitions NOT included in JPL or CDMS as well as new, more accurate fits to existing molecules.Added >229,000 lines to the database including transitions NOT included in JPL or CDMS as well as new, more accurate fits to existing molecules. –a Beta 0.5 version became available for limited use. Work continued on validating the algorithms for determining QNs and line strength values. –provide an implementation of Splatalogue including observational template data and synthetic spectra calculation. –Additional query/return formats will also be provided/supported (eg. SLiSE application). Primarily user driven! –version ‘1.0’ released to select persons for general use including the limited functionality of observational template data and synthetic spectra calculation. February 2008: “Beta” version made publically available at www.splatalogue.net.February 2008: “Beta” version made publically available at www.splatalogue.net. May 2008: Updates continuing to the splat database as new fits, lab work appear at JPL, CDMS or from Lovas' calculations.May 2008: Updates continuing to the splat database as new fits, lab work appear at JPL, CDMS or from Lovas' calculations. 2008: Will provide the data for the ALMA Archive Spectral Line Catalogue. Can easily be adapted to be included in the data reduction tools or observing tools of telescopes worldwide.2008: Will provide the data for the ALMA Archive Spectral Line Catalogue. Can easily be adapted to be included in the data reduction tools or observing tools of telescopes worldwide. –Access via the http/php Simple Line Access Protocol (SLAP) (see SLAP documentation)‏ –Data returned in SLDM XML format

16. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 Splatalogue “Beta” versions resides at: www.splatalogue.net Splatalogue in its trial version, ready for limited public use is available at (warning...constantly changing!): http://pfrieden.dyndns.org/

17. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008 For access to the database, a copy of the database or information on how to configure your existing OT, PST or data reduction tool to query the data available in Splatalogue, contact: –aremijan@nrao.edu –andrewjmk@gmail.com NOTE: copies of the database will NOT be maintained by theAWGonSLF! A mail exploder will be set up shortly after the beta to inform users of new updates, etc. Additional users can be added to the exploder via the splatalogue homepage. Future plans will call for a “my.splatalogue.net” where your favorite search criteria will be saved and recalled upon your return.

18. 63 rd OSU Meeting on Molecular Spectroscopy – Columbus, OH June 19, 2008April 27, 2006 18 www.alma.info The Atacama Large Millimeter Array (ALMA) is an international astronomy facility. ALMA is a partnership between Europe, North America and Japan, in cooperation with the Republic of Chile. ALMA is funded in North America by the U.S. National Science Foundation (NSF) in cooperation with the National Research Council of Canada (NRC), in Europe by the European Southern Observatory (ESO) and Spain. ALMA construction and operations are led on behalf of North America by the National Radio Astronomy Observatory (NRAO), which is managed by Associated Universities, Inc. (AUI), on behalf of Europe by ESO, and on behalf of Japan by the National Astronomical Observatory of Japan.