Getting started with apitofsim
This is the documentation for apitofsim, a simulation of cluster fragmentation in an Atmospheric Pressure interface Time of Flight Mass Spectrometer (APi-ToF MS). This page will help you get started with installation and usage. For more information about the package itself, please refer to the Background page.
Installation
It is recommend to install this package using Conda. Users on Windows should use WSL. First download miniforge and then run:
conda install -c https://prefix.dev/vilma apitofsim
It is also possible to build from source.
Usage
There are two main entry points to running the simulation: the command line tools and a Python library. Basic functionality is available in both, but the Python API allows for more customization.
Using apitofsim from the command line
First, refer to the guide which walks through using all major features of the package through the command line. Next, you can refer to the reference for the command line tools and for the configuration files.