The Coblentz Society and the National Institute of Standards and Technology (NIST) have joined efforts to produce a much needed digital infrared database for spectral searching and identification. The Coblentz Society has long been noted for its high-quality evaluated infrared reference data and for the recommended standards for infrared data productions. NIST has long had the reputation of producing the high circulated mass spectral database and is now entering a joint effort to likewise produce an infrared database. This new joint effort is initiated under a Cooperative Research and Development Agreement (CRADA) pursuant to 15 U.S.C. section 3710a. Under this agreement, NIST and Coblentz will produce a digital infrared database for distribution through NIST as the Coblentz/NIST IR Database.
The initial product from NIST was targeted for a fall 1999 release and contains approximately 20,000 spectra. Approximately half of the spectra are from the NIST/EPA library and half are spectra from digitized Coblentz reference data. Initially the IR database will include both gas-phase and solid-phase spectra but will be broken down into subsets by phase and compound class once the database is sufficiently large to warrant such an approach. Specialty subsets of IR data much like the existing Coblentz reference volumes are on-line for production. The existing 10,000 spectra volume series of Coblentz data are also on-line for inclusion in the Coblentz/NIST IR Database. Updates of the database are scheduled to be produced periodically.
NIST will be providing additional data measurements and database compilation for distribution including software developments for data handling. The Coblentz Society will be spearheading data solicitation and data evaluation. Any individuals or organizations that have produced IR reference data sets are encouraged to participate in this effort. The Coblentz Society will be collecting data sets and evaluating them for inclusion into the Coblentz/NIST IR Database. Contributors may retain the copy right for donated spectra or assign the copyright to NIST or the Coblentz Society.
If you are interested in this database or contributing data to this national/international effort, please contact Kathy Kalasinsky or Clara Craver (573) 358-2589 for further information.
Kathryn S. Kalasinsky
Armed Forces Institute of Pathology
Division of Forensic Toxicology
1413 Research Blvd.
Rockville, MD 20850
Tel: (301) 319-0055
Fax: (301) 319-0628