SFIT4 Line-by-line nonlinear spectral fitting software: version 0.9.4

doi:doi:10.18758/eijxnqwo

SFIT4 Line-by-line nonlinear spectral fitting software: version 0.9.4

SFIT4 is a radiative transfer and atmospheric constituent profile retrieval algorithm for use with spectra recorded in solar absorption and emission across the infrared spectrum. The predecessors of SFIT4 (SFIT & SFIT2) were co-developed over time at NASA Langley, NIWA Lauder NZ and the Univ. of Denver (Chang & Shaw, 1977, Niple, 1980, Goldman et al., 1980, Pougatchev & Rinsland, 1995). This version of SFIT4 v0.9.4 implements a line-by-line code with 1st order line-mixing the generalized lineshape profile algorithm pCqSDHC (Ngo, 2013) and has the possibility of explicit Total Internal Partition Function (TIPS) calculations (Fischer, 2003). It implements upwards looking geometry using Fourier Transform interferometer spectra. For the retrieval of atmospheric chemical profiles the Optimal Estimation (Rodgers 2000) is implemented. SFIT4 allows the use of a user defined regularization matrix. The raytracing algorithm (FASCATM) is integrated in the code (Smith, et. al., 1978, Gallery, et. al., 1983, Shephard, et. al., 2009).

SFIT4 is one of two standard retrieval codes employed by the NDACC IRWG (NDACC Infrared Working Group) and consequently operationally employed for satellite and model validation, trend evaluation and broad range of atmospheric research purposes.

The SFIT4 retrieval algorithm is designed to work with spectroscopic data from HITRAN (Rothman 2005, Rothman 2013) and ATM (Toon 2013).

The algorithm is driven with an a-priori state of the atmosphere (pressure, temperature and volume mixing ratio profiles for the atmospheric constituents). A-priori input profiles for selected sites are extracted from WACCM v6 (Gettelman 2019).

The source code can be obtained from the links below or from https://wiki.ucar.edu/display/sfit4/SFIT+Core+Code.

Data and Resources

WACCM prior atmospheres at the NDACC IRWG sites FTP
NCAR hosted ftp archive with prior atmospheric states obtained from the...

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SFIT4 software HTML
GitHub repository

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Spectroscopic database ZIP
The linelists are compiled from several sources
1. HITRAN
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Cite this as (APA format)

Hannigan, J., Palm, M., Jones, N., Ortega, I., Langerock, B., Mahieu, E., Zhou, M., & Smale, D. (2024). SFIT4 Line-by-line nonlinear spectral fitting software: version 0.9.4 (Version 0.9.4) [Computer software]. Royal Belgian Institute for Space Aeronomy. https://doi.org/10.18758/eijxnqwo

Users of this DOI are kindly encouraged to contact the author(s) for help and cooperation towards further successful utilisation.

Author(s)
Principal	Hannigan, James, National Center for Atmospheric Research
Other(s)	Palm, Mathias, University of Bremen; Jones, Nicholas, Wollongong University; Ortega, Ivan, National Center for Atmospheric Research; Langerock, Bavo, Royal Belgian Institute for Space Aeronomy; Mahieu, Emmanuel, University of Liège; Zhou, Minqiang, Royal Belgian Institute for Space Aeronomy; Smale, Dan, National Institute of Water and Atmospheric Research Lauder New Zealand;
Contact	data-contact of Royal Belgian Institute for Space Aeronomy

Technical info
Documentation	Pougatchev, N. S., Connor, B. J., & Rinsland, C. P. (1995). Infrared measurements of the ozone vertical distribution above Kitt Peak. Journal of Geophysical Research: Atmospheres, 100(D8), 16689-16697. https://doi.org/10.1029/95jd01296 Rodgers, C. D. (2000). Inverse Methods for Atmospheric Sounding. In Series on Atmospheric, Oceanic and Planetary Physics. WORLD SCIENTIFIC. https://doi.org/10.1142/3171 Tikhonov, A. N., Goncharsky, A. V., Stepanov, V. V., & Yagola, A. G. (1995). Numerical Methods for the Solution of Ill-Posed Problems. Springer Netherlands. https://doi.org/10.1007/978-94-015-8480-7 Fischer, J., Gamache, R. R., Goldman, A., Rothman, L. S., & Perrin, A. (2003). Total internal partition sums for molecular species in the 2000 edition of the HITRAN database. Journal of Quantitative Spectroscopy and Radiative Transfer, 82(1-4), 401-412. https://doi.org/10.1016/s0022-4073(03)00166-3 https://github.com/NCAR/sfit-core-code/tree/Official_Release_v9.4.4/docs
Is producing (compiling,...)	Kivi, R., Vigouroux, C., Langerock, B., & Bjorklund, R. (2026). FTIR ozone (O3) groundbased remote sensing at Sodankylä from HR125 FTS FMI instrument (Version 1) [Data set]. Royal Belgian Institute for Space Aeronomy. https://doi.org/10.18758/tzwr7tr6 Vigouroux, C., De Mazière, M., Kumps, N., Langerock, B., Metzger, J.-M., & Desmet, F. (2024). FTIR formic acid (HCOOH) groundbased remote sensing at Saint-Denis from instrument BIRA.IASB001 (Version 1) [Dataset]. Royal Belgian Institute for Space Aeronomy. https://doi.org/10.18758/r1nqd9jb Vigouroux, C., Bauer Aquino, C. A., De Mazière, M., Gatti, L., Kumps, N., Langerock, B., & Desmet, F. (2024). FTIR methanol (CH3OH) groundbased remote sensing at Porto Velho from instrument BIRA.IASB004 (Version 1) [Dataset]. Royal Belgian Institute for Space Aeronomy. https://doi.org/10.18758/yft886sg Vigouroux, C., Bauer Aquino, C. A., De Mazière, M., Gatti, L., Kumps, N., & Langerock, B. (2024). FTIR isoprene (C5H8) groundbased remote sensing at Porto Velho from instrument BIRA.IASB004 (Version 1) [Dataset]. Royal Belgian Institute for Space Aeronomy. https://doi.org/10.18758/8rlgj2yl Vigouroux, C., Bauer Aquino, C. A., De Mazière, M., Gatti, L., Kumps, N., & Langerock, B. (2024). FTIR hydrogen cyanide (HCN) groundbased remote sensing at Porto Velho from instrument BIRA.IASB004 (Version 1) [Dataset]. Royal Belgian Institute for Space Aeronomy. https://doi.org/10.18758/73dfrhqe Vigouroux, C., Bauer Aquino, C. A., De Mazière, M., Gatti, L., Kumps, N., & Langerock, B. (2024). FTIR ethane (C2H6) groundbased remote sensing at Porto Velho from instrument BIRA.IASB004 (Version 1) [Dataset]. Royal Belgian Institute for Space Aeronomy. https://doi.org/10.18758/2negshac Vigouroux, C., Bauer Aquino, C. A., De Mazière, M., Gatti, L., Kumps, N., & Langerock, B. (2024). FTIR formic acid (HCOOH) groundbased remote sensing at Porto Velho from instrument BIRA.IASB004 (Version 1) [Dataset]. Royal Belgian Institute for Space Aeronomy. https://doi.org/10.18758/lguyweqe Vigouroux, C., Bauer Aquino, C. A., De Mazière, M., Gatti, L., Kumps, N., & Langerock, B. (2024). FTIR formaldehyde (HCHO) groundbased remote sensing at Porto Velho from instrument BIRA.IASB004 (Version 1) [Dataset]. Royal Belgian Institute for Space Aeronomy. https://doi.org/10.18758/iuv9k6jm Vigouroux, C., De Mazière, M., Kumps, N., & Langerock, B. (2024). FTIR acetylene (C2H2) groundbased remote sensing at Porto Velho from instrument BIRA.IASB004 (Version 1) [Dataset]. Royal Belgian Institute for Space Aeronomy. https://doi.org/10.18758/kpyc5agf

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Repository homepage	https://data.aeronomie.be/dataset/
Last Updated	April 3, 2026
Created	September 6, 2024

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SFIT4 Line-by-line nonlinear spectral fitting software: version 0.9.4

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