SIRIUS Ation 4.0.1 Manual

• Introduction
  • Welcome
  • Literature
• Installation
  • Windows
  • Linux and Mac OSX
  • Proxy servers
  • Installing Gurobi and CPLEX
  • Getting started
• Prerequisites
  • Spectral quality
  • Monoisotopic masses
  • Theoretical masses of ions
  • Mass deviations
  • Molecular formulas
  • Fragmentation trees
  • Molecular fingerprints
  • Molecular structures
  • Training data
• Graphical User Interface
  • Overview
  • Data import
  • Identifying molecular formulas with SIRIUS
  • Identifying molecular structure with CSI:FingerID
  • Visualization of the results
  • Workspace
  • Settings
  • Bug Reports
• SIRIUS Commandline Tool
  • Supported Input Formats
• SIRIUS Java Library
  • Maven Integration
  • Main API
• Frequently asked questions (FAQ)
• Changelog
• Bibliography