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Title: XMI-MSIM 5.0

Type Software Schoonjans, Tom, Vincze, Laszlo, Solé, Vicente Armando, Sanchez del Rio, Manuel, Brondeel, Philip, Silversmit, Geert, Appel, Karen, Ferrero, Claudio (2014): XMI-MSIM 5.0. Zenodo. Software. https://zenodo.org/record/12381

Authors: Schoonjans, Tom (Bundesanstalt für Materialforschung und -prüfung, Berlin, Germany) ; Vincze, Laszlo (Ghent University, Gent, Belgium) ; Solé, Vicente Armando (European Synchrotron Radiation Facility, Grenoble, France) ; Sanchez del Rio, Manuel (European Synchrotron Radiation Facility, Grenoble, France) ; Brondeel, Philip (Ghent University, Gent, Belgium) ; Silversmit, Geert (Ghent University, Gent, Belgium) ; Appel, Karen (HASYLAB at DESY, Hamburg, Germany) ; Ferrero, Claudio (European Synchrotron Radiation Facility, Grenoble, France) ;

Links

Summary

XMI-MSIM is an open source tool designed for predicting the spectral response of energy-dispersive X-ray fluorescence spectrometers using Monte-Carlo simulations. It comes with a fully functional graphical user interface in order to make it as user friendly as possible. Considerable effort has been taken to ensure easy installation on all major platforms.

Development of this package was part of my PhD thesis. The algorithms were inspired by the work of my promotor Prof. Laszlo Vincze of Ghent University. Links to his and my own publications can be found in our manual.

A manuscript has been published in Spectrochimica Acta Part B that covers the algorithms that power XMI-MSIM. Please include a reference to this publication in your own work if you decide to use XMI-MSIM for academic purposes.

A second manuscript was published that covers our XMI-MSIM based quantification plug-in for PyMca. Soon information on using this plug-in will be added to the manual.

XMI-MSIM is released under the terms of the GPLv3.

Development occurs at Github: http://github.com/tschoonj/xmimsim Downloads are hosted by the X-ray Micro-spectroscopy and Imaging research group of Ghent University: http://lvserver.ugent.be/xmi-msim

Version 5.0 release notes:

Changes:

Custom detector response function: build a own plug-in containing your own detector response function and load it at run-time to override the builtin routines. Instructions can be found in the manual. Escape peak improvements: new algorithm is used to calculate the escape peak ratios based on a combined brute-force and variance-reduction approach. Ensures high accuracy even at high incoming photon energies and thin detector crystals. Downside: it's slower… Removed maximum convolution energy option. Was a bit confusing anyway. Number of channels: moved from simulation controls into input-file Radionuclide support added: Now you can select one or more commonly used radionuclide sources from the X-ray sources widget. Advanced Compton scattering simulation: a new alternative implementation of the Compton scattering has been implemented based on the work of Fernandez and Scot (http://dx.doi.org/10.1016/j.nimb.2007.04.203), which takes into account unpopulated atomic orbitals. Provides an improved simulation of the Compton profile, as well as fluorescence contributions due to Compton effect (extremely low!), but slows the code down considerably. Advanced users only. Default: OFF Plot spectra before convolution in results Windows: new Inno Setup installers. Contains the headers and import libraries Windows: compilers changed to GCC 4.8.1 (TDM-GCC) Windows: rand_s used to generate seeds on 64-bit version (requires Vista or later) Windows: new gtk runtime for the 64-bit version (see also https://github.com/tschoonj/GTK-for-Windows-Runtime-Environment-Installer) Mac OS X: compilers changed to clang 5.1 (Xcode) and gfortran 4.9.1 (MacPorts) Original input-files from our 2012 publication (http://dx.doi.org/10.1016/j.sab.2012.03.011) added to examples Updater performs checksum verification after download X-ray sources last used values stored in preferences.ini xmimsimdata.h5 modified: even bigger now...

 

Bugfixes:

Windows: support for usernames with unicode characters. Fixed using customized builds of HDF5. Thanks to Takashi Omori of Techno-X for the report! Spectrum import from file fixes. Was never properly tested apparently

 

Note: For those that compiled XMI-MSIM from source: you will need to regenerate the xmimsimdata.h5 file with xmimsim-db. Old versions of this file will not work with XMI-MSIM 5.0.

 

 

More information

  • DOI: 10.5281/zenodo.12381

Subjects

  • X-ray fluorescence, Monte Carlo simulation, M-line, Cascade effect, Pulse pile-up

Dates

  • Publication date: 2014
  • Issued: October 16, 2014

Rights


Much of the data past this point we don't have good examples of yet. Please share in #rdi slack if you have good examples for anything that appears below. Thanks!

Format

electronic resource

Relateditems

DescriptionItem typeRelationshipUri
IsSupplementTohttps://doi.org/10.1016/j.sab.2012.03.011
IsSupplementTohttps://doi.org/10.1016/j.sab.2012.12.011
IsPartOfhttps://zenodo.org/communities/zenodo