5 Mössbauer Spectroscopy with High Spatial Resolution …
243
5.5 Analysis Software
Software plays an important role in Mössbauer investigations since deconvolution
of Mössbauer spectra is required to extract quantitative information from the data.
While this task is common to all experiments, there are particular aspects that are
important for measurements with small beam size. Thickness effects should be
taken into account, generally by fitting using the full transmission integral, e.g.,
[1, 4]. Thickness effects arise because radioactive point sources have high effective
thickness (Sect. 5.2.2) and samples can also have high effective thickness, especially when enriched with
57 Fe (Sect. 5.4.4). SMS spectra have high absorption and
negligible non-resonant background, which also requires a full transmission integral fit, e.g., [18]. Texture effects should be part of the fitting procedure (Sect. 5.4.3).
Section 5.5 focuses on two different types of free software: (1) spectral deconvolution
of spectra from small beam size measurements, and (2) mapping of microanalytical
data obtained from heterogeneous samples.
5.5.1 Spectral Deconvolution
MossA fits and simulates energy domain data from both radioactive source
(Lorentzian line shape) and synchrotron (Lorentzian-squared line shape) measurements [47], incorporates full transmission integral fitting and allows for texture effects
(unequal component areas). MossA has a graphical user interface (GUI) where users
define sites by mouse clicks and the fitting process is displayed in real time. The
program is written in MATLAB and offers stand-alone executables for a number of
different operating systems. The source code is also available and the software is
distributed under the GNU General Public License. MossA can be downloaded from
https://www.clemensprescher.com/.
CONUSS is highly versatile, allowing simulation and fitting of both energy and
time domain spectra as well as data from other techniques (for example nuclear
Bragg/Laue scattering and grazing incidence nuclear resonant scattering experiments) [48] and incorporates both thickness and texture effects. The program consists
of different modules that are accessed through a command line interface, and offers
a graphical display option. The package is written in Fortran90 and can be installed
on many different operating systems. The source code is distributed under the GNU
General Public License, and the software can be downloaded on request from https://
nrixs.com/.
The simulations of energy and time domain spectra in this chapter were performed
using MOTIF [24], which also performs fitting and incorporates both thickness and
texture effects. The program uses a command line interface but leaves the graphical
presentation of results up to the user. Binary files containing compiled executables
for different operating systems are available on request from the author, Y. Shvyd’ko.
243
5.5 Analysis Software
Software plays an important role in Mössbauer investigations since deconvolution
of Mössbauer spectra is required to extract quantitative information from the data.
While this task is common to all experiments, there are particular aspects that are
important for measurements with small beam size. Thickness effects should be
taken into account, generally by fitting using the full transmission integral, e.g.,
[1, 4]. Thickness effects arise because radioactive point sources have high effective
thickness (Sect. 5.2.2) and samples can also have high effective thickness, especially when enriched with
57 Fe (Sect. 5.4.4). SMS spectra have high absorption and
negligible non-resonant background, which also requires a full transmission integral fit, e.g., [18]. Texture effects should be part of the fitting procedure (Sect. 5.4.3).
Section 5.5 focuses on two different types of free software: (1) spectral deconvolution
of spectra from small beam size measurements, and (2) mapping of microanalytical
data obtained from heterogeneous samples.
5.5.1 Spectral Deconvolution
MossA fits and simulates energy domain data from both radioactive source
(Lorentzian line shape) and synchrotron (Lorentzian-squared line shape) measurements [47], incorporates full transmission integral fitting and allows for texture effects
(unequal component areas). MossA has a graphical user interface (GUI) where users
define sites by mouse clicks and the fitting process is displayed in real time. The
program is written in MATLAB and offers stand-alone executables for a number of
different operating systems. The source code is also available and the software is
distributed under the GNU General Public License. MossA can be downloaded from
https://www.clemensprescher.com/.
CONUSS is highly versatile, allowing simulation and fitting of both energy and
time domain spectra as well as data from other techniques (for example nuclear
Bragg/Laue scattering and grazing incidence nuclear resonant scattering experiments) [48] and incorporates both thickness and texture effects. The program consists
of different modules that are accessed through a command line interface, and offers
a graphical display option. The package is written in Fortran90 and can be installed
on many different operating systems. The source code is distributed under the GNU
General Public License, and the software can be downloaded on request from https://
nrixs.com/.
The simulations of energy and time domain spectra in this chapter were performed
using MOTIF [24], which also performs fitting and incorporates both thickness and
texture effects. The program uses a command line interface but leaves the graphical
presentation of results up to the user. Binary files containing compiled executables
for different operating systems are available on request from the author, Y. Shvyd’ko.