title: Extracting cluster distributions from mass spectra: IsotopeFit.
abstract: The availability of high resolution mass spectrometry in the study of atomic and molecular clusters opens up challenges for the interpretation of the data. In complex systems each resolved mass peak may contain contributions from multiple species because of the isotope structure of constituent elements and because a multitude of different types of clusters with different compositions are present. A computational procedure which can help to identify a specific cluster from this complex dataset and quantify its relative abundance would be extremely helpful to many who work in this field. Here some new software designed for this purpose, known as IsotopeFit, is described.
authors.affiliation: Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstr. 25/3, A-6020 Innsbruck, Austria.
authors.forename: Stefan
authors.initials: S
authors.lastname: Ralser
authors.affiliation: Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstr. 25/3, A-6020 Innsbruck, Austria.
authors.forename: Johannes
authors.initials: J
authors.lastname: Postler
authors.affiliation: Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstr. 25/3, A-6020 Innsbruck, Austria.
authors.forename: Martina
authors.initials: M
authors.lastname: Harnisch
authors.affiliation: Department of Chemistry, University of Leicester, University Road, Leicester LE1 7RH, United Kingdom.
authors.forename: Andrew M
authors.initials: AM
authors.lastname: Ellis
authors.affiliation: Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstr. 25/3, A-6020 Innsbruck, Austria.
authors.forename: Paul
authors.initials: P
authors.lastname: Scheier
keywords: Analysis software; Cluster ions; Cluster size distributions; Isotope patterns