2002/05/02 by H. Kang, H. D. Kang, R. Preuss +7
Chemistry · Computer Science · Physics and Astronomy · #Bayesian Methods and Mixture Models #Data Analysis #FOS: Physical sciences #Gaussian Processes and Bayesian Inference #Spectroscopy and Chemometric Analyses #Statistics and Probability (physics.data-an) #physics.data-an
paper · pdf · doi:10.48550/arxiv.physics/0205004
arxiv created 2002/05/02 · openalex publication_date 2002/05/02 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We present a method for the decomposition of mass spectra of mixture gases using Bayesian probability theory. The method works without any calibration measurement and therefore applies also to the analysis of spectra containing unstable species. For the example of mixtures of three different hydrocarbon gases the algorithm provides concentrations and cracking coefficients of each mixture component as well as their confidence intervals. The amount of information needed to obtain reliable results and its relation to the accuracy of our analysis are discussed.