A short script to use the nontarget pattern.match function to print useful information about clusters.
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3 years ago
  1. # Specifications for the script
  2. **Use the Nontarget**
  3. - Clusters should have large enough number of fragments (3+ maybe)
  4. - nontarget has a pattern match function.
  5. - Check for chlorinated compounds (has n+2, n+4, ...)
  6. - GPL License (good)
  7. - Script to get output for all of the results
  8. - tabbed-deliminated text file
  9. - Which clusters contain chlorinated compounds, how many fragments, what other
  10. isotopes.
  11. ## format
  12. - Readable by R.
  13. - Manipulatable by Tidyverse
  14. - Include it in script?