Time-of-flight spectrometer Simulator

tof-simulator is a package to simulate the spectra from a Time-of-Flight mass spectrometer.

It has capabilities to analyze substances from convenient names and may be used as a python module in a script or interactively as a Graphical program.

Interfaces

The package may be used in three different forms:

• Python module in a script. Something like:

from tofsim import ToF
# Create the TOF with all isotopes from Ar and Kr
T = ToF('Ar','Kr')

# Adjust the TOF parameters
T.Vs = 120                      # Extraction voltaje
T.Vd = 3000                     # Acceleration voltaje


T.signal()                      # Make the spectra

p = T.get_statistics_peaks()    # Get the peaks

print(p)                        # Print the peaks

• Gtk GUI interface tof_gtk
• Web GUI interface tof_stl

Demo

• Start the GUI and calculate the spectra

  

• Modify the TOF parameters and recalculate

  

Note

See Project page: https://github.com/fiolj/tof-simulator

Installation

Library installation

Install using pip, either system-wide (administrator rights are needed)

pip install tof-simulator

or (usually preferred) for the current user:

pip install --user tof-simulator

Note

The installation as described above does not include GUI systems, they are optional

Gtk GUI installation

To install the optional Gtk GUI use:

pip install --user tof-simulator[gtk]

Web GUI installation

The optional Web GUI uses streamlit ( https://streamlit.io/ ), and can be installed as:

pip install --user tof-simulator[stl]

Installation from source

In order to install from source, you can:

• Clone the project

  git clone https://github.com/fiolj/tof-simulator
  

• Go to the local folder of the project and build the package:

  cd tof-simulator
  python3 -m build
  

• Install the recently created package

  pip install --user dist/tofsim-4.0-py3-none-any.whl[gtk,stl]
  

Dependencies

• In order to run the simulator programmatically:

  • Only Numpy is required.
  • Optionally, matplotlib is needed to use included capabilities for plotting.

• To use the Gtk GUI, the requirements are:

  • matplotlib

  • PyGobject.

    Information on how to install PyGobject on different platforms may be found in the documentation

• To use the Gtk GUI, the requirements are:

  • matplotlib
  • streamlit

Copyright

Copyright (C) 2020 Juan Fiol

This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.

This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

You should have received a copy of the GNU General Public License along with this program. If not, see https://www.gnu.org/licenses/.

Documentation

Further information on installation, dependencies and use may be found in the documentation.