GEISA Release of updated database and way forward

GEISA Release of updated database and way forward N. Jacquinet, R. Armante N.A. Scott, A. Chédin, L. Crépeau, C. Boutammine, A. Bouhdaoui, C. Crevoisier, V. Capelle GEISA: Gestion et Etude des Informations Spectroscopiques Atmosphériques ; Management and Study of Atmospheric Spectroscopic Information Laboratoire de Météorologie Dynamique Atmospheric Radiation Analysis Group/ABC(t) Ecole Polytechnique 91128 Palaiseau, France http://ara.abct.lmd.polytechnique.fr

GEISA databases CURRENT GEISA SYSTEM (created in 1974) Contents and Organization THREE INDEPENDENT SUB-DATABASES (associated management softwares ) - LINE PARAMETERS: wavenumber, intensity, air broadening pressure halfwidth (HWHM), energy of the lower transition, quantum identification, temperature dependance of coeffficient for HWHM,. - ABSORPTION CROSS-SECTIONS: - in the IR (40 molecular species); - in the UV/VIS (17 molecular species) - MICROPHYSICAL and OPTICAL PROPERTIES of ATMOSPHERIC AEROSOLS Minor permanent constituents of the EARTH atmosphere O 3,CH 4,N 2 O,CO Major Permanent constituents of EARTH atmosphere O 2,H 2 O,CO 2 Trace molecules in the EARTH atmosphere NO, SO 2,NO 2,NH 3, HNO 3, OH,HF, HCl, HBr, HI, ClO, OCS, H 2 CO, PH 3 Molecules in atmospheres of JUPITER, SATURN, URANUS,TITAN, etc.: CH 6, CH 3 D, C 2 H 2, C 2 H 4, GeH 4, HCN, C 3 H 8, C 3 H 4

57 Participants 31 Institutions 11 Countries (France (10) Belgium (2) Germany (2) UK (3) Spain (1) Ireland (1) Norway (2) USA (4) Canada (1) China (1) Russia (3)

HIGHLIGHTS GEISA-2015 database release: 5,059,777 entries in the line parameters subdatabase (against 3,794,297 in GEISA-2011) 52 molecular species (113 isotopologues) 22 molecules updated and 1 new molecule added (SO 3 ) HDO is given a specific identification code Important update of the IR cross-sections and aerosols sub-databases GEISA line parameter database reference for current or planned TIR SWIR space missions

spectral range from 10-6 to 35,877.031 cm -1

LINE PARAMETERS SUB-DATABASE H2O versus HDO Molecular Species ID H 2 O 1 Contributors L. Coudert, J. Tennyson, A. Campargue, S. Mikhaïlenko, O.V. Naumenko, J. Orphal, A. Ruth, R.R. Gamache CO 2 2 V.I. Perevalov, S. Tashkun, R.R. Gamache O 3 3 A. Barbe, S. Mikhaïlenko, Vl.G. Tyuterev CH 4 6 V. Boudon, L.R. Brown, A.Campargue, D.C. Benner O 2 7 S. Yu, B. Drouin SO 2 9 D. Jacquemart, H.S.P. Müller NH 3 11 M. Down, J. Tennyson, L.R. Brown HNO 3 13 A. Perrin H 2 CO 21 D. Jacquemart, H.S.P. Müller C 2 H 6 22 L.R. Brown, K.Y. Sung CH 3 D 23 L.R. Brown, A. Campargue. C 2 H 2 24 D. Jacquemart C 2 H 4 25 J.-M. Flaud HCN 27 J. Tennyson C 2 N 2 29 A. Jolly, A. Fayt C 4 H 2 30 A. Jolly, A. Fayt CH 3 Cl 34 D. Jacquemart, A. Nikitin, J. Buldyreva, N. Lavrentieva H 2 S 36 O.V. Naumenko, L.R. Brown CH 3 Br 43 D. Jacquemart. HNC 46 J. Tennyson HDO (NEW) 51 A. Campargue, S. Mikhaïlenko, O.V. Naumenko, R.R. Gamache SO 3 (NEW) 52 J. Tennyson, D.S. Underwood

H 2 O Differences in the H 2 O and HDO concentration profiles HDO no more considered as an isotopolog of H 2 O in 2015 edition of GEISA

GEISA-2015 database includes HDO as a separate molecular species This follows the remarks and recommendations from working groups involved in the evaluation of future sounder performances and associated LBL modelling, i.e.: water vapor isotopic ratios can exhibit significant variations in space (horizontally and vertically) and time and it could eventually mean that, in order to model vertically-varying water vapor isotopic ratios, water vapor isotopologues should be treated as separate molecules in the LBL computations

HDO HDO independent molecule in GEISA 2014

LINE PARAMETERS SUB-DATABASE CO2 Molecular Species ID H 2 O 1 Contributors L. Coudert, J. Tennyson, A. Campargue, S. Mikhaïlenko, O.V. Naumenko, J. Orphal, A. Ruth, R.R. Gamache CO 2 2 V.I. Perevalov, S. Tashkun, R.R. Gamache CDSD 296 O 3 3 A. Barbe, S. Mikhaïlenko, Vl.G. Tyuterev CH 4 6 V. Boudon, L.R. Brown, A.Campargue, D.C. Benner O 2 7 S. Yu, B. Drouin SO 2 9 D. Jacquemart, H.S.P. Müller NH 3 11 M. Down, J. Tennyson, L.R. Brown HNO 3 13 A. Perrin H 2 CO 21 D. Jacquemart, H.S.P. Müller C 2 H 6 22 L.R. Brown, K.Y. Sung CH 3 D 23 L.R. Brown, A. Campargue. C 2 H 2 24 D. Jacquemart C 2 H 4 25 J.-M. Flaud HCN 27 J. Tennyson C 2 N 2 29 A. Jolly, A. Fayt C 4 H 2 30 A. Jolly, A. Fayt CH 3 Cl 34 D. Jacquemart, A. Nikitin, J. Buldyreva, N. Lavrentieva H 2 S 36 O.V. Naumenko, L.R. Brown CH 3 Br 43 D. Jacquemart. HNC 46 J. Tennyson HDO (NEW) 51 A. Campargue, S. Mikhaïlenko, O.V. Naumenko, R.R. Gamache SO 3 (NEW) 52 J. Tennyson, D.S. Underwood

LINE PARAMETERS SUB-DATABASE CH 4 Molecular Species ID H 2 O 1 Contributors L. Coudert, J. Tennyson, A. Campargue, S. Mikhaïlenko, O.V. Naumenko, J. Orphal, A. Ruth, R.R. Gamache CO 2 2 V.I. Perevalov, S. Tashkun, R.R. Gamache O 3 3 A. Barbe, S. Mikhaïlenko, Vl.G. Tyuterev CH 4 6 V. Boudon, L.R. Brown, A.Campargue, D.C. Benner O 2 7 S. Yu, B. Drouin SO 2 9 D. Jacquemart, H.S.P. Müller NH 3 11 M. Down, J. Tennyson, L.R. Brown HNO 3 13 A. Perrin H 2 CO 21 D. Jacquemart, H.S.P. Müller C 2 H 6 22 L.R. Brown, K.Y. Sung CH 3 D 23 L.R. Brown, A. Campargue. C 2 H 2 24 D. Jacquemart C 2 H 4 25 J.-M. Flaud HCN 27 J. Tennyson C 2 N 2 29 A. Jolly, A. Fayt C 4 H 2 30 A. Jolly, A. Fayt CH 3 Cl 34 D. Jacquemart, A. Nikitin, J. Buldyreva, N. Lavrentieva H 2 S 36 O.V. Naumenko, L.R. Brown CH 3 Br 43 D. Jacquemart. HNC 46 J. Tennyson HDO (NEW) 51 A. Campargue, S. Mikhaïlenko, O.V. Naumenko, R.R. Gamache SO 3 (NEW) 52 J. Tennyson, D.S. Underwood

CH4

CH 3 D

ABSORPTION CROSS-SECTIONS SUB- DATABASE GEISA-15 cross-sections update in the infrared J. Harrison and P. Bernath, ASA/HITRAN conf., Aug. 2012, Reims Ethane Propane Acetone Acetonitrile Methanol Trifluoromethane Acetaldehyde Ø. Hodnebrog, M. Etminan, J.S.Fuglestvedt, G. Marston, G. Myhre, C.J. Nielsen, et al., Rev. of Geophys.,2013 GEISA-15 newly archived cross-sections in the near infrared Molecular species Spectral range (cm -1 ) Reference CH 3 CN 6814-7067 O Leary et al., 2012 CH 3 I 7473-7497 E.P. Farag et al., 2013 CH 3 O 2 7474-7493 E.P. Farag et al., 2013 H 2 CO 6547-7051 Staak et al., 2005 HO 2 6604-6696 Ibrahim et al., 2007; Jain et al., 2011 HONO 6623.6-6645.6 Jain et al., 2011 NH 3 6850-6997 O'Leary et al., 2008

GEISA-2015 AEROSOLS SUB- DATABASE

GEISA-2015 AEROSOLS SUB-DATABASE Physical and optical properties

OVERVIEW OF THE SPECIAL ISSUE (SI) ON NEW VISION OF THE SPECTROSCOPIC DATABASES 30 publications included sorted into 3 classes (T1, T2, T3) evolving from themes issued from the conclusions of the GEISA-2014 workshop and considered as being at the root of new visions of spectroscopic databases. T1: Anticipating the future of Molecular Spectroscopy: 1) Assessment of actual constraints imposed by the limited precision/accuracy of available spectroscopic data on studies of Earth and planetary atmospheres, as well as in astrophysics and astronomy; 2) Anticipated evolution of requirements to be met by experimental and theoretical spectroscopic information (molecular species, spectral ranges, pressure and temperature dependencies, gas concentration ranges, evolving selection and accuracy of line parameters ). Five publications (Volume 1) T2 Improving database contents: 1) High and very high spectral resolution laboratory measurements; 2) Absorption cross-sections of atmospheric trace constituents (emphasis on potential greenhouse gases); 3) Atmospheric aerosols (microphysical and optical properties, precursors); theoretical spectroscopy (non LTE conditions, line shape models ); 4) Feedback from users, including groups developing remote sensing instrumentation, on latest needs to improve the precision/accuracy of spectroscopic data. Fourteen publications (Volume 1)

Sharper vision of molecular spectroscopy for spectroscopic databases: enhancement and anticipation in coming years (Vol.1) a) b) c) d) Illustrations of novel analyses: a) multispectrum for CO2 (Benner et al.); b) CRDS for C2H2 exhibiting rare peculiarity (Kassi et al.); c) bending rotation for CD2HOH (Ndao et al.); d) far infrared for Cl2CO (Flaud et al.)

OVERVIEW OF THE SPECIAL ISSUE (SI) ON NEW VISION OF THE SPECTROSCOPIC DATABASES (following) T3 Databases evolution and user friendly access 1) All-purpose (GEISA, HITRAN, CDMS ) and molecule-specific (CDSD -Carbon Dioxide Spectroscopic Databank), S&MPO Spectroscopy and Molecular Properties of Ozone), CH 4 ) spectroscopic databases are included: assessment and revision of their contents; 2) Feedback from metrology groups on presently available spectroscopic information (precision/accuracy, traceability, dissemination); 3) Adaptability to specific needs from various communities not necessarily involved in remote sensing measurements. Eleven publications in Volume 2

(Vol. 2) TOWARDS AN EVOLVING VISION OF PUBLIC SPECTROSCOPIC DATABASES - a) Extension (H2O continuum, Shine et al.) and adaptation of current contents for future sounding (HDO as independent molecule, GEISA-2015, Jacquinet-Husson et al.) - b) Quality control through new validation tools (Armante et al.) - c) Unique technical and collaborative framework for data sharing (VAMDC, Zwölf et al.)

SI ON NEW VISIONS OF SPECTROSCOPIC DATABASES CONCLUDING COMMENTS Despite the important contents of this Special Issue in quality publications, the need to improve and consolidate the spectroscopic databases and the RTMs that use them remains and will remain a priority in order to: (i) fully exploit the high spectral resolution and radiometric accuracy of the new atmospheric instruments for an improved restitution of various geophysical variables; (ii) reanalyse the existing time series of previous satellites and establish fundamental climate data records. Many of the identified topics for spectroscopic database improvements still need to be investigated. GEISA Scientific committee to be created Update of the database every year