Computes error of the parent ion mass to charge measurement

Description

Computes error of the parent ion mass to charge measurement from experimentalMassToCharge and calculatedMassToCharge. The returned value is in points per million (ppm).

Usage

    mass_measurement_error(object)

Arguments

Details

It may be more common to compute "mass measurement error". However, the practical difference in "mass measurement error" and "mass to charge measurement error" is negligible. Moreover, the instruments measure mass/charge ratio, not mass per se.

Value

Returns mass to charge measurement error in "ppm" units.

Author(s)

Vladislav A Petyuk vladislav.petyuk@pnnl.gov

See Also

MSnID recalibrate correct_peak_selection

Examples

data(c_elegans)
ppm <- mass_measurement_error(msnidObj)
hist(ppm, 100)

Results

R version 3.3.1 (2016-06-21) -- "Bug in Your Hair"
Copyright (C) 2016 The R Foundation for Statistical Computing
Platform: x86_64-pc-linux-gnu (64-bit)

R is free software and comes with ABSOLUTELY NO WARRANTY.
You are welcome to redistribute it under certain conditions.
Type 'license()' or 'licence()' for distribution details.

R is a collaborative project with many contributors.
Type 'contributors()' for more information and
'citation()' on how to cite R or R packages in publications.

Type 'demo()' for some demos, 'help()' for on-line help, or
'help.start()' for an HTML browser interface to help.
Type 'q()' to quit R.

> library(MSnID)
Loading required package: Rcpp
Warning messages:
1: replacing previous import 'reshape2::melt' by 'data.table::melt' when loading 'MSnID' 
2: replacing previous import 'reshape2::dcast' by 'data.table::dcast' when loading 'MSnID' 
> png(filename="/home/ddbj/snapshot/RGM3/R_BC/result/MSnID/mass_measurement_error.Rd_%03d_medium.png", width=480, height=480)
> ### Name: mass_measurement_error
> ### Title: Computes error of the parent ion mass to charge measurement
> ### Aliases: mass_measurement_error
> 
> ### ** Examples
> 
> data(c_elegans)
> ppm <- mass_measurement_error(msnidObj)
> hist(ppm, 100)
> 
> 
> 
> 
> 
> dev.off()
null device 
          1 
>