calc_error: Calculate ppm and retention time error
In evanamartin/TopPICR: What the Package Does (One Line, Title Case)

calc_error

R Documentation

Calculate ppm and retention time error

Description

Computes the error in ppm and retention time between each data set and a reference data set. The default reference data set (returned by the find_ref_ds function) is the one with the most unique proteoforms.

Usage

calc_error(x, ref_ds)

Arguments

`x`	A `data.table` output from the `align_rt` function.
`ref_ds`	A character string specifying the name of the reference data set.

Value

A list with three elements. The first element is the data matrix that contains the error terms for the mass and retention times. These terms will be used to both recalibrate the mass and cluster the data. The second element is the median of the mass measurement error (in ppm) across all data sets. The third element is the median of the standard deviation of the retention time across all data sets.