junikimm717
/
Patternmatch
1
0
Fork 0
Code Issues Pull Requests Projects Releases 2 Wiki Activity
A short script to use the nontarget pattern.match function to print useful information about clusters.
You can not select more than 25 topics Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
11 Commits
1 Branch
2 Tags
91 KiB
 
 
Tree: 7e40feedb0
Branches Tags
${ item.name }
Create tag ${ searchTerm }
Create branch ${ searchTerm }
from '7e40feedb0'
${ noResults }
junikimm717 7e40feedb0
changed README and copyright notice 		3 years ago
src changed README and copyright notice 3 years ago
.gitignore noninteractive corrections and reformat 3 years ago
LICENSE.md first commit 4 years ago
README.md changed README and copyright notice 3 years ago
specification.md cleaned up codebase 3 years ago

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 uses the following packages:

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

Configuration

All configuration variables are located at the top of the script.

Output

The script should print a list with data for all clusters that contain the isotopes to be searched for.

If verbose.enable is set to TRUE, files of the form (fragment number).txt containing the pattern.search output will be printed to the directory specified in verbose.outputdir, assuming the directory already exists.