add_scan_info: add scan level info

View source: R/SCMzml.R

add_scan_infoR Documentation

add scan level info

Description

add scan level info

Usage

add_scan_info(mzml_data)

Arguments

mzml_data

the MSnbase mzml data object

Details

returns a data.frame with:

  • scanIndex: the indices of the scans

  • scan: the number of the scan by number. This will be used to name scans.

  • polarity: +1 or -1 depending on if the scan is positive or negative

  • rtime: the retention time or injection time of the scan for for direct-injection data

  • tic: the total intensity of the scan

  • rtime_lag: how long between this scan and previous scan

  • rtime_lead: how long between this scan and next scan

After running predict_frequency(), the following fields are added from the information returned from frequency conversion:

  • mad: mean absolute deviation of residuals

  • ⁠frequency model coefficients⁠: the coefficients from the fit frequency, named whatever you named them

  • ⁠mz model coefficients⁠: similar, but for the m/z model

Value

data.frame, see Details


MoseleyBioinformaticsLab/ScanCentricPeakCharacterization documentation built on March 29, 2024, 11:32 p.m.