singleSample: Perform single sample spectral binning

In jasenfinch/OrbiFIEproc: Spectral Processing for High Resolution Flow Infusion Mass Spectrometry

Perform single sample spectral binning

Description

Perform spectral binning on a single sample.

Usage

singleSample(file, class = NA, verbose = TRUE)

Arguments

file	file path
class	optional class name
verbose	show console output

Details

Parallel processing is managed by the future package. This can be specified using the plan() function. See the example below and ?future::plan for details on how this can be specified.

By default, spectral binning is performed at the recommended 2 decimal places. This can be altered by setting either the global option binner_dp or the environment variable BINNER_DP.

Value

S4 object of class Binalysis.

See Also

Binalysis-class

Examples

## Not run: 
file_path <- metaboData::filePaths('FIE-HRMS','BdistachyonTechnical')[1]

## Optionally declare parallel processing backend
# plan(future::multisession,workers = 2)

bd <- singleSample(file_path)

## End(Not run)

jasenfinch/OrbiFIEproc documentation built on Aug. 21, 2023, 9:21 a.m.