Package: RuSirius 1.0.4

Introduction | Prerequisites | Connecting to Sirius | Checking Connection Status | Managing Projects | Creating/Opening a Project | Project Information | Working with Features | Logging In | Using the GUI | Shutting Down | Utility Functions | Next Steps | Session Info

Introduction | Prepping Spectra object | Open Sirius and project set up | Submit job to Sirius - For structure DB search | Retrieve Results | De novo structure description | Importing MS2-only or MSn-only data | Session information

Introduction | Preprocessing | MS1 and MS2 Extraction | Open Sirius and project set up | Data import | Searchable database | Submit job to Sirius - For structure DB search | Retrieve Results | Formula identification results: | Structure DBs search results | Compound class prediction results | Spectral library matching results | Fragmentation tree results | Submit job to Sirius - For De Novo structure annotation. | Retrieve results | Setting a Known Molecular Formula | CleanUp | Session information

Introduction | Connecting to a Project | Quick Summary with summary() | Formula Identification Summary | Structure Database Summary | De Novo Structure Summary | Spectral Library Match Summary | Detailed Results with results() | Formula Candidates | Structure Database Results | Compound Class Predictions (CANOPUS) | De Novo Structures (MSNovelist) | Spectral Library Matches | Fragmentation Trees | Filtering by Feature | Return Types | Mapping to Original IDs | Session Info

Introduction | Managing Databases | Listing Available Databases | Database Information | Creating a Custom Database | From a Compound List (TSV/CSV) | From a Spectral Library (MGF) | Comparing Results: Default vs Custom Database | Setup: Import Sample Data | Run with Default Database (BIO) | Run with Custom Database Added | Compare Results | Removing a Database | Best Practices | Clean Up | Session information