rs2iontree


Convert resultset, a data frame retrieved from database into a list of iontree objects. 


 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

rs2iontree function

Convert resultset, a data frame retrieved from database into a list of iontree objects.

rs2iontree: Convert a data frame into iontree

Description

Usage

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See Also