formatSpec

2-col matrix or type of character depends on "fromTo"

fromTo


argument x is a 2-column matrix of mz and intenity, or a string format of mz-internsity
paris. Character pair of mz and intensity is separated by semicolon, for example, 150 2345.6; 151 4325.67; .... which is often used to represent a mass spectrum as seen in NIST and MassBank. 


 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

formatSpec function

argument x is a 2-column matrix of mz and intenity, or a string format of mz-internsity
paris. Character pair of mz and intensity is separated by semicolon, for example, 150 2345.6; 151 4325.67; .... which is often used to represent a mass spectrum as seen in NIST and MassBank.

formatSpec: Format mass spec matrix data into a string format, or vice versa

Description

Usage

Arguments

Value

Details

References

See Also

Examples