hasMS2

MS2 raw data in R binary file, see <code>saveMSnRaw</code>

MS2RAW

mzRange

rtRange


check whether MS2 data are available for the ion/peak specified by mzRange and rtRange among samples. 


 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

hasMS2 function

check whether MS2 data are available for the ion/peak specified by mzRange and rtRange among samples.

hasMS2: Check which samples have MS2 spectra generated

Description

Usage

Arguments

Value

Details

References

See Also