add scan level info

add scan level info

Usage

add_scan_info(mzml_data)

Arguments

mzml_data

the MSnbase mzml data object

Value

data.frame, see Details

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