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MossA : a program for analyzing energy‐domain Mössbauer spectra from conventional and synchrotron sources
Author(s) -
Prescher Clemens,
McCammon Catherine,
Dubrovinsky Leonid
Publication year - 2012
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889812004979
Subject(s) - synchrotron , gaussian , quadrupole , spectral line , hyperfine structure , computational physics , mössbauer spectroscopy , line (geometry) , energy (signal processing) , beamline , physics , atomic physics , optics , mathematics , geometry , nuclear physics , beam (structure) , quantum mechanics , astronomy
The program MossA provides a straightforward approach to the fitting of 57 Fe conventional and synchrotron energy‐domain Mössbauer spectra. Sites can be defined simply by mouse clicks and hyperfine parameters can be constrained to constant values, within specific ranges, and can be coupled linearly between different subspectra. The program includes a full transmission integral fit with Lorentzian line shape (conventional source) or Lorentzian‐squared line shape (synchrotron source). The fitting process is graphically displayed in real time while fitting and can be interrupted at any time. Gaussian‐shaped quadrupole splitting distributions for analyzing nonmagnetic amorphous materials are included. MossA is designed especially for the rapid and comprehensive analysis of complex Mössbauer spectra, made possible by its native graphical user input.