subStructure.Annotate: composite spectra substructure annotation
In WMBEdmands/CompMS2miner: an automatable metabolite identification, visualization and data-sharing R package for high-resolution LC-MS datasets
Description
composite spectra substructure annotation
Usage
1
subStructure.Annotate(object, ...)
Arguments
Frag_mzabs
Absolute mass accuracy difference to identify neutral losses
and fragments in composite spectra (default = 0.01).
SubStrs
substructure data frame (default = Substructure_masses)
see ?Substructure_masses for details of the mandatory table fields/ format
minRelInt
minimum relative intensity to consider a spectral signal
for substructure annotation (default = 5 i.e. 5% rel. int.).
WMBEdmands/CompMS2miner documentation built on May 9, 2019, 10:02 p.m.
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Description
composite spectra substructure annotation
Usage
1 | subStructure.Annotate(object, ...)
|
Arguments
Frag_mzabs |
Absolute mass accuracy difference to identify neutral losses and fragments in composite spectra (default = 0.01). |
SubStrs |
substructure data frame (default = Substructure_masses) see ?Substructure_masses for details of the mandatory table fields/ format |
minRelInt |
minimum relative intensity to consider a spectral signal for substructure annotation (default = 5 i.e. 5% rel. int.). |
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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