Title: PyTrA: ultra-fast transient absorption data analysis software

Authors: Jacob Martin; Xindi Wang; Cather Simpson; Ivo Siekmann

Addresses: School of Chemical Sciences, The Photon Factory, The University of Auckland, Private Bag 92019, Auckland 1142, New Zealand ' School of Chemical Sciences, The Photon Factory, The University of Auckland, Private Bag 92019, Auckland 1142, New Zealand ' School of Chemical Sciences, The Photon Factory, The University of Auckland, Private Bag 92019, Auckland 1142, New Zealand ' National ICT Australia, Victoria Research Laboratory, Melbourne VIC 3010, Australia

Abstract: Ultra-fast transient absorption spectra are inherently complex data sets to process. PyTrA is a new software system that has been written to bring together many of the most well-known techniques of analysis into one easy-to-use package. Figure of publishable quality can be generated, and advanced 3D graphs can be used to view the transient data in new ways. PyTrA is the first ultrafast transient analysis package that has Bayesian probabilistic fitting, implemented through the use of Markov chain Monte Carlo method in which the parameters can be randomly probed. This approach reduces the problems associated with over-describing the system.

Keywords: ultra-fast laser spectroscopy; transient absorption spectra; femtosecond time-resolved spectroscopy; photochemistry; Bayesian data analysis; hard modelling; soft modelling; python; data analysis software; nanotechnology; Markov chain Monte Carlo; MCMC.

DOI: 10.1504/IJNT.2014.060582

International Journal of Nanotechnology, 2014 Vol.11 No.5/6/7/8, pp.601 - 609

Published online: 19 Apr 2014 *

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