grabMzxmlMS3: Extract the MS3 data from an mzXML nodeset

In RaMS: R Access to Mass-Spec Data

Extract the MS3 data from an mzXML nodeset

Description

Extract the MS3 data from an mzXML nodeset

Usage

grabMzxmlMS3(xml_data, file_metadata, rtrange, incl_polarity)

Arguments

xml_data	An 'xml2' nodeset, usually created by applying 'read_xml' to an mzXML file.
file_metadata	Information about the file used to decode the binary arrays containing m/z and intensity information.
rtrange	A vector of length 2 containing an upper and lower bound on retention times of interest. Providing a range here can speed up load times (although not enormously, as the entire file must still be read) and reduce the final object's size.
incl_polarity	Boolean determining whether the polarity of the scan should be returned as a column in the table (positive mode = 1, negative mode = -1)

Value

A 'data.table' with columns for retention time (rt), MS1 precursor m/z (prepremz), MS2 precursor m/z (premz), fragment m/z (fragmz), collision energy (voltage), and intensity (int).

RaMS documentation built on Oct. 9, 2024, 9:06 a.m.