Compounds list class for MetFrag results.

This class is derived from compounds and contains additional specific MetFrag data.

Usage

settings(compoundsMF)

# S4 method for class 'compoundsMF'
settings(compoundsMF)

Arguments

compoundsMF

A compoundsMF object.

Details

Objects from this class are generated by generateCompoundsMetFrag

Methods (by generic)

• settings(compoundsMF): Accessor method for the settings slot.

Slots

settings

A list with all general configuration settings passed to MetFrag. Feature specific items (e.g. spectra and precursor masses) are not contained in this list.

S4 class hierarchy

• compounds

  • compoundsMF

References

Ruttkies C, Schymanski EL, Wolf S, Hollender J, Neumann S (2016). “MetFrag relaunched: incorporating strategies beyond in silico fragmentation.” Journal of Cheminformatics, 8(1). doi:10.1186/s13321-016-0115-9 .

See also

compounds and generateCompoundsMetFrag