vi-4 jpl catalog upgrades: new tools, new formats and new interfaces brian j. drouin, shanshan yu,...
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VI-4 JPL Catalog Upgrades: New Tools, New Formats and New Interfaces
BRIAN J. DROUIN, SHANSHAN YU, JOHN C. PEARSON,
Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109-8099
Cataloging ProcessNew or Improved Spectra
PublishedNew or Improved Spectra
PublishedSearch for related information,
primarily dipole moment magnitude and direction
Search for related information, primarily dipole moment magnitude and direction
Fit Spectra with SPFITFit Spectra with SPFITPredict Spectrum with
SPCATPredict Spectrum with
SPCAT
Document process, especially if different from literature
Document process, especially if different from literature
Merge measured and predicted spectra
Merge measured and predicted spectra
Provide files on ftp and www server
Provide files on ftp and www server
6/18/2010
More Directory FilesTo assist with searching and database organization, e.g. searchable listing of entries that are known in ISM
Catalog StructureCatalog file c*.cat
•Frequency of the line•Estimated or experimental error (999.9999 indicates error is larger)•Base 10 logarithm of the integrated intensity in units of nm2 MHz•molecules degrees of freedom in the rotational partition function (0 for atoms, 2 for linear molecules, and 3 for nonlinear)•Lower state energy in wavenumbers•Upper state degeneracy•negative indicates reported experimental error.•Identifies the format of the quantum numbers given in the field QN.•Quantum numbers for transition
Documentation file d*.catPartition function, dipole moment, prediction cutoffs, referencesTags for references in c*.lin
Archive files c*.int, c*.par, c*.lin
dipole moment, prediction cutoffs, molecular parameters & Hamiltonian, experimental data
Directory filescatdir.html - linkscatdir.cat – entry name, # lines, log partition, update #
Alternative Catalog Files p*.cat
Same format but not merged with experimental data
kept in subdirectory /catalog/prediction/
Energy files c*.egy•Q uantum numbers for state•Energy in wavenumbersExtended calculation of high J and tabulation of energies will enable dynamic Q(T) calculation
Kept in archive
Calibrated data files c*.dat
simple format of experimental data, frequency & intensity – for species with poor or incomplete analyses
6/18/2010
Real Progress - Archive• Archive now has html interface • 70% complete a 25% increase over 1 year
6/18/2010
Real Progress - MySQL
• New MySQL ‘meta’database– Unifies documentation and linedata– Provides additional (derived) quantities– Enables expanded content• Energy levels• Linewidths & rates?
• SQL Server is on with functionality within JPL• Query Interface is being built
6/18/2010
MyPHP look at MySQL database
6/18/2010
• New Updates for Multiple Species• New MySQL ‘meta’database– Unifies documentation and linedata– Provides additional (derived) quantities– Enables expanded content• Energy levels• Linewidths & rates?
• Improved Catalog Archive• New Spectral Archive
ReferenceCalculated Frequency
Measured Frequency
Qualityflag
New Homepage
6/18/2010
Example of SQL query
6/18/2010
Example of SLAP
6/18/2010
Developing Standards
• IVOA - International Virtual Observatory Alliance– ‘owners’ of SLAP – Simple Line Access Protocol
• SSLDM – Simple Spectral Line Data Model– The main use of the SSLDM is to provide data
model support to the Simple Line Access Protocol, so to allow the consumption of Spectral Line List databases using a common/standard interface.
• VAMDC (Virtual Atomic and Molecular Data Centre, www.vamdc.org)
6/18/2010
Acknowledgements• Tony Remijan– Blueprint for SQL database
• Brian Knosp – web interface, implementing SLAP
• Bill Adler – system administration
• Carolyn Brauer, Ed Cohen, Herb Pickett – consulting on archive
• NASA ADP – funding• Copyright 2010 California Institute of Technology• Government sponsorship acknowledged
6/18/2010
suggestions
• wants search window to state limits of listing, min frq, max freq, min intensity, max intensity
• Enable query type for database limits– number of a quanta, e.g. vibration– Frequency cutoffs– Intensity cutoffs
6/18/2010