HITRANonline A New Structure and Interface for HITRAN

HITRANonline: A New Structure and Interface for HITRAN Line Lists and Cross Sections C. Hill, a, b L. S. Rothman, a I. E. Gordon, a R. V. Kochanov, a, c P. Wcisło, a, d J. Wilzewskie a. Harvard-Smithsonian Center for Astrophysics Atomic and Molecular Physics Division Cambridge MA, USA b. University College London, UK c. Tomsk State University, Tomsk, RUSSIA d. Nicolas Copernicus University, Torun, POLAND e. Harvard University, Astronomy Dept, Cambridge MA, USA HITRANonline <http: //hitran. org> 22 June 2015

New Structure for HITRAN: Advantages New parameter sets Ø Planetary applications Ø Line-shape functions Ø Advanced remote sensing Ø Precision and long fields Power to the user Ø Ease of filtering Ø Graphical preview Ø Complex queries Ø Diverse outputs Ø Source availability Ø Poor man’s FASCODE Power to the manager Ø Simple tables for data Ø Provenance for data Ø Data validation Ø Expandability Ø Consistency

Current (HITRAN 2004+) 160 -character. par format …… …… …… • ASCII text format: 160 bytes per transition • Fixed-width formats for data fields (Fortran-friendly) • Total database size (without supplementary data): 440 MB

Additional Parameters Wider Coverage Ø Molecules and isotopologues for planetary atmospheres (SO, C 2 N 2, C 3 H 8, C 3 H 4, H 3+, CH 3, …) Ø Molecules and isotopologues for astrophysical, environmental, and other diverse applications. Ø Radioactive species Line Shape Ø Ø Ø Other foreign collision partners (H 2, He, H 2 O, CO 2, …) Pressure shifts Temperature dependences Parameters for Hartmann-Tran profile (HTP) Line mixing Future requirements…

Field-length Issues • Frequency comb work Calibration standards in telecommunication bands Acetylene and methane calibration lines • Floating decimal point • Line-shape parameters - self-broadened width; temperature dependence; etc. • Quantum assignments - polyatomics with many vibrational modes - open-shell species - dynamic molecules (e. g. torsional modes) - hyperfine coupling to more than one nucleus (e. g. N 2 O) - Zeeman splitting? • Reference pointers - Example: Water air-broadened half widths

Power to the User Ø Ease of filtering Pull down menus Graphical preview Ø Relational database structure More parameters, more significant figures, etc. Ø Complex queries HAPI Ø Diverse outputs ASCII, XSAMS, HDF-5, delimited, customized, drag and drop parameters Ø Source availability - Cursor over parameters shows information - Cursor over parameter, and then link to source - Citations increase for contributors Ø HAPI (HITRAN Application Programing Interface) - Additional filtering capabilities - Partition sums - Absorption coefficients - Poor man’s FASCODE

HITRANonline Interface

Generated Output Files

Generated Overview Plot cm-1

Brief Summary of Parameters

Example of Cross-Section Search

Power to the Manager Ø Simple tables for data - Handling of unavailable data more flexible Ø Provenance for data - Time stamp Ø Data validation - Selection rules obeyed - Sanity checks Ø Consistency - Enabled by each state or energy level archived only once Ø Expandability

Summary Ø New Structure for HITRAN Molecular Spectroscopic Database - Allows for more advanced radiative-transfer calculations - Provided with powerful user tools Ø Access: http: //hitran. org Ø Future - More parameters - More accuracy - More measurements and theoretical calculations!

Acknowledgments SAO HITRAN team members Iouli Gordon. Christian Hill Kelly Chance. Roman Kochanov Jonas Wilzewski Piotr Wcisło James Damon. Lorenzo Barrett Sergey Tashkun, Semen Mikhailenko, Yuri Babikov V. E. Zuev Institute of Atmospheric Optics, Tomsk, Russia Funding Support NASA Earth Observing System NASA Planetary Atmospheres Program Cooperative Research Development Foundation