getMSnRaw


msdata is a reference to a Java ArrayList. Obtained by calling getMSData Java function.
msdata=.jcall("XCMS", "Ljava/util/ArrayList;","getMSData", filename);


msdata

msLevel


query MSn data by the attribute of 'msLevel' and get MSn raw data into a R list. Users may just use function "saveMSnRaw" to retrieve ion tree from a data file and avoid a direct Java function call.   


utilities

Ion fragmentation provides structural information for metabolite identification. This package provides utility functions to manage and analyse MS2/MS3 fragmentation data from ion trap mass spectrometry. It was designed for high throughput metabolomics data with many biological samples and a large numer of ion trees collected. Tests have been done with data from low-resolution mass spectrometry but could be readily extended to precursor ion based fragmentation data from high resoultion mass spectrometry.

Mingshu Cao

iontree

Data management and analysis of ion trees from ion-trap mass spectrometry

getMSnRaw function

msdata is a reference to a Java ArrayList. Obtained by calling getMSData Java function.
msdata=.jcall("XCMS", "Ljava/util/ArrayList;","getMSData", filename);

query MSn data by the attribute of 'msLevel' and get MSn raw data into a R list. Users may just use function "saveMSnRaw" to retrieve ion tree from a data file and avoid a direct Java function call.

getMSnRaw: Get MSn raw data

Description

Usage

Arguments

Value

Details

References

See Also