MCMC Spectral Fitting Data for Scientific Release of Phase V Data Reduction of GOTHAM

This dataset contains all of the necessary data to reproduce the MCMC spectral fitting in the scientific release of the Phase V data reduction of the GOTHAM observations, which investigate the role of aromatic chemistry in molecular clouds. A link to the collaboration website can be found here. The full set of the raw observation data and the calibrated data products of the GOTHAM observations are available here. The data is organized into folders for each individual molecule, each of which includes five files: A README containing molecular information, catalog source, prior probability distribution used in the Bayesian analysis, and summary statistics of the marginalized posterior probability distribution. A serialized Python object (pickle) containing spectral chunks of the GOTHAM observations. To access this data you will need to use joblib library. A catalog file (.cat file) containing rest frequency and line intensity information generated using SPCAT. A partition function file listing tabulated values derived from a polynomial fit to the state-counting calculation. A NetCDF file containing the full posterior samples from the Bayesian MCMC fit, generated with emcee ensemble sampler. For datasets c-C3H, C3N, and CH3C6H, the supplementary data additionally includes four Pickett files (.lin, .fit, .var, and .int files) containing line frequencies measured in the laboratory and the assigned spectroscopic parameters. Whenever catalogs including hyperfine structure are available, the MCMC spectral fitting was performed with hyperfine components considered. For these molecules, the catalogs and partition functions are provided with hyperfine splitting accounted for. If you are interested in using this data, please contact Dr. Ci Xue, Dr. Brett McGuire, or a member of the GOTHAM collaboration. Please acknowledge use of this dataset by citing both this Dataverse entry and the article: C. Xue, A. N. Byrne, L. Morgan, G. Wenzel, P. B. Changala, et al. ApJS (2025, in revision), which details the phase V data reduction of the GOTHAM observations and related laboratory measurements. (We will update the reference as the paper is published.)