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

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Specifications for the script

Use the Nontarget

  • Clusters should have large enough number of fragments (3+ maybe)

  • nontarget has a pattern match function.

  • Check for chlorinated compounds (has n+2, n+4, ...)

  • GPL License (good)

  • Script to get output for all of the results

  • tabbed-deliminated text file

  • Which clusters contain chlorinated compounds, how many fragments, what other isotopes.

format

  • Readable by R.
  • Manipulatable by Tidyverse
  • Include it in script?