A short script to use the nontarget pattern.match function to print useful information about clusters.
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  1. # Patternmatch
  2. This is a short R pattern.search wrapper that takes in a CSV file containing
  3. HRMS Peaks and prints all of the fragment numbers that may contain isotopes of one's
  4. choosing (preferably halogenated compounds).
  5. ## Installation
  6. The script uses the following packages:
  7. - latest version of the [Nontarget R Package](https://github.com/blosloos/nontarget)
  8. (It is recommended to install this package through the devtools package)
  9. - [enviPat](https://rdocumentation.org/packages/enviPat/versions/2.2)
  10. - [stringr](https://www.rdocumentation.org/packages/stringr/versions/1.4.0)
  11. - [parallel](https://www.rdocumentation.org/packages/parallel/versions/3.6.2)
  12. Before running/configuring the script, call `make` while in the `/src`
  13. directory or simply copy `/src/script.def.R` to `/src/script.R`.
  14. ## Configuration
  15. All configuration variables are located at the top of the script.
  16. ## Output
  17. The script should print a list with data for all clusters that contain the
  18. isotopes to be searched for.
  19. If `verbose.enable` is set to `TRUE`, files of the form `(fragment number).txt`
  20. containing the `pattern.search` output will be printed to the directory
  21. specified in `verbose.outputdir`, assuming the directory already exists.
  22. ## Additional Notes
  23. As windows does not allow forking, the number of cores used on it will be
  24. constrained to 1.