setExpParam: setExpParam

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

setExpParam

Description

Main interface to set the experimental parameters into a RHermesExp object. The user can either provide an ExpParam object (partially or fully customized) or provide a template tag to use a pre-made parameter set.

Usage

setExpParam(struct, params = ExpParam(), template = character(0))

## S4 method for signature 'RHermesExp'
setExpParam(struct, params = ExpParam(), template = character(0))

Arguments

struct	The RHermesExp object to modify.
params	Optional if using template. An ExpParam object detailing a custom set of parameters.
template	Ignored if using params. A character describing the ID of the pre-made parameter set to use. Currently you can use: 'orbi-pos', 'orbi-neg', 'qtof-pos' and 'qtof-neg'. The parameters can be found, modified or even expanded in the csv at app/www/InstrumentTemplates.csv

Value

An RHermesExp object with the desired experimental parameters set.

Examples

if(FALSE){
myHermes <- RHermesExp()

#Using template
myHermes <- setExpParam(myHermes, template = 'orbi-pos')

#Custom parameters
myHermes <- setExpParam(myHermes,
                        ExpParam(ppm = 10, res = 135000, ion = '-'))
}

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