dutchjes/MSMSsim: Functions for processing HRMS2 spectra from output from RMassBank, mainly for calculating spectral similarity
Uses the output of RMassBank long-form table with fragment information to generate HRMS2 spectra. Functions included for generating merged spectra from different collision energies. Spectral similarity function included to calculate similarity based on the dot product, including weighting factors for both m/z and intensity.
Getting started
Browse package contents
Package details |
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| Author | Jennifer E. Schollée |
| Maintainer | Jennifer E. Schollée <jennifer.schollee@eawag.ch> |
| License | What license is it under? |
| Version | 1.0 |
| Package repository | View on GitHub |
| Installation |
Install the latest version of this package by entering the following in R:
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