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984 B
984 B
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:
- latest version of the Nontarget R Package (This should be installed through the devtools package)
- purrr
- enviPat
- stringr
- parallel
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.