A short script to use the nontarget pattern.match function to print useful information about clusters.
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README.md

Patternmatch

This is a short R pattern.search wrapper that takes in a CSV file containing HRMS Peaks and prints all of the fragment numbers that may contain isotopes of one's choosing (preferably halogenated compounds).

Installation

The script has the following dependencies:

Before running/configuring the script, call make while in the /src directory or copy script.def.R to script.R.

Additional Notes

In order to make the search run in linear time, as of right now, the entire data table will be sorted before searching.