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filterPrecursorMz with multiple precursor m/z values #230

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jorainer opened this issue Dec 10, 2021 · 1 comment
Open

filterPrecursorMz with multiple precursor m/z values #230

jorainer opened this issue Dec 10, 2021 · 1 comment

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@jorainer
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At present filterPrecursorMz expects a range of m/z values and keeps all spectra with a precursor m/z within that range. I'm wondering if it would not also be nice to have the possibility to filter spectra matching any of provided precursor m/z (see also on rformassspectrometry/SpectraQL#1). So, what I would suggest is the following:

  • new filterPrecursorMzRange method (that symlinks at present to the filterPrecursorMz function) which accepts a numeric(2) with lower and upper m/z range.
  • new filterPrecursorMzValue method that has parameters mz, ppm and tolerance and keeps all spectra that match any of the mz (given ppm and tolerance).

This is somewhat similar to the filterMzRange and filterMzValue methods we have already implemented. Any thoughts on that @sgibb and @lgatto ?

@jorainer
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CC @andreavicini

jorainer added a commit that referenced this issue Jan 13, 2022
- Add the `filterPrecursorMzValues` method to enable filtering based on multiple
  target precursor m/z values.
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