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Open AccessArticle

Referencing Sources of Molecular Spectroscopic Data in the Era of Data Science: Application to the HITRAN and AMBDAS Databases

Atomic and Molecular Physics, Center for Astrophysics|Harvard & Smithsonian, Cambridge, MA 02138, USA
Undergraduate Chemistry Department, University of Massachusetts Lowell, Lowell, MA 01854, USA
Nuclear Data Section, International Atomic Energy Agency, Vienna International Centre, PO Box 100, A-1400 Vienna, Austria
The SAO/NASA Astrophysics Data System (ADS), Center for Astrophysics|Harvard & Smithsonian, Cambridge, MA 02138, USA
Authors to whom correspondence should be addressed.
Atoms 2020, 8(2), 16;
Received: 27 February 2020 / Revised: 23 April 2020 / Accepted: 25 April 2020 / Published: 30 April 2020
(This article belongs to the Special Issue Development and Perspectives of Atomic and Molecular Databases)
The application described has been designed to create bibliographic entries in large databases with diverse sources automatically, which reduces both the frequency of mistakes and the workload for the administrators. This new system uniquely identifies each reference from its digital object identifier (DOI) and retrieves the corresponding bibliographic information from any of several online services, including the SAO/NASA Astrophysics Data Systems (ADS) and CrossRef APIs. Once parsed into a relational database, the software is able to produce bibliographies in any of several formats, including HTML and BibTeX, for use on websites or printed articles. The application is provided free-of-charge for general use by any scientific database. The power of this application is demonstrated when used to populate reference data for the HITRAN and AMBDAS databases as test cases. HITRAN contains data that is provided by researchers and collaborators throughout the spectroscopic community. These contributors are accredited for their contributions through the bibliography produced alongside the data returned by an online search in HITRAN. Prior to the work presented here, HITRAN and AMBDAS created these bibliographies manually, which is a tedious, time-consuming and error-prone process. The complete code for the new referencing system can be found on the HITRANonline GitHub website. View Full-Text
Keywords: HITRAN; database; bibliography; citation; reference HITRAN; database; bibliography; citation; reference
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    Description: This is the link to the Django application and Python notebook that is cited in this work.
MDPI and ACS Style

Skinner, F.M.; Gordon, I.E.; Hill, C.; Hargreaves, R.J.; Lockhart, K.E.; Rothman, L.S. Referencing Sources of Molecular Spectroscopic Data in the Era of Data Science: Application to the HITRAN and AMBDAS Databases. Atoms 2020, 8, 16.

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