tof-simulator 3.5

Time-of-Flight Mass spectrometry 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.

Demo

• Start the GUI and calculate the spectra

  

• Modify the TOF parameters and recalculate

  

Installation

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

pip install tof-simulator-X.Y.tar.gz

or (usually preferred) for the current user:

pip install --user tof-simulator-X.Y.tar.gz

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 GUI, the requirements are:

  • matplotlib

  • PyGobject.

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

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.

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.