filterMassAcquisition: Filter a mass window

In sipss/NIHSlcms: Signal processing of LC-MS metabolomics

Description

filterMassAcquisition is a function to filter a mass window when two different mass windows have been acquired in the same experiment. Note that the function works in a unique polarity, either positive or negative. Then, the function extracts one of the sequential spectra within a lcms_dataset. Spectra need to be alternating the "small and "large" mass window in the file.

Usage

filterMassAcquisition(dataset, window = "small")

Arguments

dataset	A lcms_dataset that contains two different mass ranges in two different acquisitions.
window	Character. It refers to which mass range will be kept with "small" or "large". window = "small" will keep the first spectrum of each couple of the intercalated spectra, while window = "large" will keep the second.

Value

A lcms_dataset that only contains one mass range. The function filtered out the other spectra. For example, if "small" was set, The function will keep the first spectrum out of two because mass windows are intercalated within the file.

sipss/NIHSlcms documentation built on May 13, 2021, 6:19 p.m.