Anthony J. Remijan

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Updates, applications and availability

• Anthony J. Remijan
• North American ALMA Postdoc
• North American ALMA Science Center (NAASC)
• Pasadena, CA
• October 25, 2007

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• 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, these catalogs are not
  recent and there is very little management of the
  catalogs by the developers of these tools.

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Comito et al. 2005 Orion KL Survey Results
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Passband taken with ALMA Band 6 at the SMT
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Presentation Outline

• Life before Splatalogue...
• JPL, CDMS, Lovas NIST, recombination, atomic,
  HITRAN04, HITEMP, individual (SLAIM)
• What is Splatalogue?
• What is ISN'T!
• Current Progress made on Splatalogue by the ALMA
  Working Group on Spectral Line Frequencies
  (AWGSLF)
• What is the AWGSLF? (if necessary)
• Future plans of the AWGSLF
• Specifically updating and maintaining Splatalogue
  (my.splatalogue.net)
• A SLiSE of Splat
• Ability to archive and view spectral line data
  and access identifications using Splatalogue.
• Demos

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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 gt3 million spectral
  lines in gt600 molecular species and associated
  isotopomers.

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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. (DEMO)
• 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. (DEMO?)
• 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, ltltoptical depth) and upload and
  compare to observer data (DEMO).
• Is completely VO-compliant, queryable under the
  IVOA SLAP standard.

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...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
  overhaul since Oct 2006!)
• application- friendly (IVOA-compliant queries in
  VO-table XML)

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The PHP based web (OLD) interface
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The PHP based web (NEW) interface with new
functionality (DEMO)
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VO-table XMLExample XML output for SiO v3 1-0
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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.
• Can you give me an example...

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What is
?

• A main goal of especially ALMA is that it must be
  easy to use by a novice observer. To that end,
  we interpret the above statement to also apply to
  an observer interested in spectral line
  astrophysics
• Tony
• I had a question about your splatalogue, what is
  the El column? Presumably this is the energy of
  the lower state, if this is the case, how can two
  of the transitions I'm interested in go to zero
  energy?
• Also, what are the units? I've noticed in all of
  these molecular catalogues that labelling and
  units are seriously neglected, not being a
  specialist it's taken me a long time to decide
  that the number presented in a catalogue is
  actually the one I want because the symbol is
  presented without a definition and the number
  without units. If you have a hand in creating the
  splatalogue you should try to remedy this...
• Cheers, Larry

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Can you give me an example...

• Tony,
• I'm in the process of preparing a proposal for
  the NASA Herschel laboratory astrophysics
  competition. They have an emphasis on sharing
  the data with the Astronomical community above
  and beyond the usual publication paths. I'm
  happy to do this, but I don't want to reinvent
  the wheel. Can you either point me at Herschel
  and/or ALMA data repositories/centers or give me
  some advice about how to proceed.
• Thanks,
• Frank (De Lucia)
• Frank,
• About question one, I believe that you are
  looking for a place to put your spectra after you
  have run it at several different temperatures,
  correct? If that is the case and you would like
  to make your spectroscopic data available to the
  community with as little effort on your part
  about the distribution, etc...look no further.
  We can put it in our database (Splatalogue) and
  make it available worldwide. Splat follows all
  the "industry" standards and is virtual
  observatory compliant. Also, we can deliver your
  product to the community, including the folks at
  Herschel, in whatever form they want...eg.,
  ascii, fits, excel, class, etc... So, for your
  proposal feel free to say that you have talked to
  me and the ALMA working group for Spectral Line
  frequencies and have made an agreement to
  disseminate your data to the community via
  Splatalogue.
• Tony

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Can you give me an example...
Part of the Turner 2mm Spectral Line survey
toward Orion KL. The spectrum shows 5
transitions, 3 due to DME and 2 from
acetaldehyde. From the data contained in
Splatalogue, we modeled the spectral line
profiles CH3OCH3 Trot 75K Nt
61015cm-2 CH3CHO Trot 40K Nt 51013cm-2 And
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Can you give me an example...
A 100 mK line is found in the residuals. Using
Frank De Lucias, convention, we want to take
out the weeds to get at the flowers Only with
accurate spectral line data can this be
possible. Compliments of D. Leigh NRAO Summer
Student.
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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,
  HITRAN04, HITEMP, individual (gt700 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. (DEMO)
• It is the only database fully VO compliant.

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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.

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• First public release (alpha release) February
  2007 at (www.splatalogue.net)
• The Splatalogue database currently holds the
  following information
• 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 (DEMO).
• Every molecular transition detected in
  astronomical environments (Updated Lovas/NIST
  list 12333 transitions)
• A complete list of H, He and C recombination
  line frequencies
• 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
• Search filters for atmospheric, potential
  (unlikely), probable and known astronomical
  molecules
• Various units of line strengths, energy levels,
  resolved QNs.
• Algorithms for resolving QNs and line strength
  values.

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• 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)

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• Future Plans
• July 2007 additional transition data compiled
  Lovas SLAIM
• Added gt229,000 lines to the database including
  transitions NOT included in JPL or CDMS as well
  as new, more accurate fits to existing molecules.
• October 2007 a Beta 0.5 version is available for
  limited use at www.cv.nrao.edu/php/aremijan/splata
  logue. This version is undergoing constant
  updates and may have limited usability from time
  to time. Work continues on validating the
  algorithms for determining QNs and line strength
  values.
• November 2007 provide an implementation of
  Splatalogue including observational template data
  and synthetic spectra calculation.
• November 2007 Additional query/return formats
  will also be provided/supported (eg. SLiSE
  application). Primarily user driven!
• December 2007 version 1.0 released to the
  public for general use including the limited
  functionality of observational template data and
  synthetic spectra calculation.
• 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

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Future Plans of the AWGSLF(what we are going to
do for you from Oct 2006 meeting)

• Finish the resolution of the database by
  12/31/06.
• Initial work completed on 07/07 efforts now are
  confirming all algorithms
• Work on reconciling the database (ETA
  12/31/07).
• Work continues on the JPL/CDMS/SLAIM. Very few
  inconsistencies are being found. Completed and
  updated for the Lovas/NIST list.
• Adding new data to the database ongoing
  throughout the lifetime of the database.
• SLAIM added 07/07 Recomb lines added 07/07
• Our wish list, and of the astronomical
  community, includes vibrational states of known
  interstellar species Ongoingwhen new updates
  are added to CDMS and JPL, they are included into
  Splatalogue.

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Future Plans of the AWGSLF(what we are going to
do for you from Oct 2006 meeting)

• Example Algorithm
• update test.main_copy set resolved_QNsconcat('N'
  ,substr(quantum_numbers,1,2),', ', 'J',
  ((substr(quantum_numbers,5,2)-0.5)2),'/2','-',
  ((substr(quantum_numbers,17,2)-0.5)2),'/2',', ',
  'F', substr(quantum_numbers,7,2),'ltsupgtlt/supgt','
  -', substr(quantum_numbers,19,2),'ltsupgt-lt/supgt')
  where (((substr(quantum_numbers,1,2) Mod
  2)False)) and species_id189 and ll_id10

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• Splatalogue WILL reside AFTER the Beta release in
  Jan 2008 at
• www.splatalogue.net
• Splatalogue in its trial version, ready for
  limited public use is available at
• www.cv.nrao.edu/php/aremijan/splatalogue

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• 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_at_nrao.edu
• andrewjmk_at_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.

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• DEMO
• Overall look and feel
• New search criteria
• Over freq range
• Example of resolved QNs, line strength
• Specific molecule(s)
• Using a new search to return only 1 freq
• Omit HFS (not yet implemented)
• Pull in sample data display model fit

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• 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.

April 27, 2006
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The Spectral Line Search Engine

• COMPUTER-INDEPENDENT TOOL
• The Spectral Line Search Engine (SLiSE) is
  a java-based applet.
• USED WEB-BASED OR STANDALONE
• SLiSE and survey databases can be searched
  via the web or downloaded for use on a personal
  machine.
• USEFUL FOR NRAO PROPOSAL SYSTEM
• Avoid overlap with other proposals.
• Investigate passbands already observed.
• Identify any contamination from known
  interstellar molecules or RFI.

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• A trial version of SLiSE is available at
• www.cv.nrao.edu/aremijan/SLiSE
• Contact me for a username and password to access
  the data.

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(CH3)2CO in Orion with BIMA