make_mass_modified_ion: Creates a modified_ion object for get_matched_peaks

In EMSL-Computing/pspecterlib: PSpecteR Library - Visualization tools for top-down and bottom-up proteomics data

Creates a modified_ion object for get_matched_peaks

Description

The modified ion allows for additional ion groups (an a-c or x-z ion with a mass shift) to be tested.

Usage

make_mass_modified_ion(Ion, Symbol, AMU_Change)

Arguments

Ion	A vector of ions to modify. Must be a, b, c, x, y, z. Required.
Symbol	An additional symbol to distinguish this ion from the original a-c or x-z. Acceptable inputs are +, ++, -, –, ^, or ^^. Must be the same length as the Ion vector. Required.
AMU_Change	A vector of the AMU mass changes to apply. Must be the same length as the Ion vector. Required.

Details

Depending on the analysis, users may want to investigate ion groups (a-c or x-z) with an additional proton, water loss, etc. This allows for that functionality, as well as a user-defined symbol for that change.

Examples

## Not run: 

make_mass_modified_ion(Ion = c("b", "z"),
                       Symbol = c("+", "+"),
                       AMU_Change = c(1.00727647, 1.00727647))


## End(Not run)

EMSL-Computing/pspecterlib documentation built on Jan. 28, 2024, 8:13 p.m.