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Add matchMz and matchSpectra for CompDb and IonDb #49

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jorainer opened this issue Dec 17, 2021 · 0 comments
Open

Add matchMz and matchSpectra for CompDb and IonDb #49

jorainer opened this issue Dec 17, 2021 · 0 comments
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Add matching functions for CompDb and IonDb databases.

  • CompDb: only matchMz,Mass2MzParam is supported because no m/z values are available. Additional parameter columns should allow to specify which annotation columns to extract. The result will have a data.frame as target, not a CompDb.
  • IonDb: support matchMz,Mass2MzParam, matchMz,MzParam and matchMz,MzRtParam using either the compounds or ions annotation.
@jorainer jorainer self-assigned this Dec 17, 2021
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