Filter single MSP entry — process_msp

nb of peaks and peaks with NL are updated in header peaks are filtered, and neutral losses added if requested stats section added returns backwards-compatible spectraItem as used by MetFamily

Usage

process_msp_entry(
  msp_entry,
  minimumProportionOfMS2peaks,
  neutralLossesPrecursorToFragments,
  neutralLossesFragmentsToFragments,
  min_intensity = 500
)

Arguments

msp_entry: MSP entry object
minimumProportionOfMS2peaks: numeric(1) Between 0 and 1. Within a spectra, fragments with an intensity below this proportion of the maximum intensity fragment are removed.
neutralLossesPrecursorToFragments: boolean Should neutral losses to precursor be calculated.
neutralLossesFragmentsToFragments: boolean Should neutral losses for each fragment pair be calculated.
min_intensity: numeric(1) minimum intensity to include fragment

Value

filtered spectra