This package builds around an optimized C++ algorithm for calculating molecular formulae using moiety-based method. Peak annotation jj jjj j is non-deterministic, therefore, a heuristic algorithm has proposed for this task. In development, are more advanced visualization, models and tools for working with multiple spectra.
Package details |
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Author | Nelson W. Green |
Maintainer | Nelson Green <nelson.green at gmail.com> |
License | GPL-3 |
Version | 0.0.0.9000 |
Package repository | View on GitHub |
Installation |
Install the latest version of this package by entering the following in R:
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