processMS1: processMS1

In RogerGinBer/RHermes: Improving metabolome characterization using molecular formula databases

processMS1

Description

Main function to process the input MS1 mzML files. It accesses the files with mzR and processes them with RHermes internal functions. For each file a PL object is generated inside the object_data_PL slot.

Usage

processMS1(struct, files, labelled = FALSE)

## S4 method for signature 'RHermesExp,character'
processMS1(struct, files, labelled = FALSE)

Arguments

struct	RHermesExp S4 object to update with the processed data. Important: The objects needs to have the experimental parameters already set before calling this function.
files	Character vector of all the paths to the files to be processed.
labelled	Logical, whether to check for all 13C isotopic signals. Defaults to FALSE

Value

An RHermesExp object with the processed PLs.

Examples

processMS1(struct, MS1file, FALSE) #For regular use
processMS1(struct, MS1file, TRUE) #For labelled data

RogerGinBer/RHermes documentation built on Nov. 6, 2022, 11:34 a.m.