cfm_parse_spec: Parse CFM precomputed spectra to R objects
In gjgetzinger/cfmR: R Wrapper for calling the Competitive Fragmentation Modeling for Metabolite Identifiction (CFM-ID) algorithm
Description
Usage
Arguments
Value
Description
Returns a Spectrum2 object if return_annotation = F and a tibble with
columns (mz,intensity,data) if return_annotation = T. The data column
contains the predicted intensity at three energies and the SMILES string for
the peak annotation.
Usage
1
cfm_parse_spec(spec, return_annotation = T)
Arguments
spec
Result from CFM precompute
return_annotation
T/F should annotation be returned
Value
the predicted mass spectrum
gjgetzinger/cfmR documentation built on May 11, 2020, 1 p.m.
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.
Description Usage Arguments Value
Description
Returns a Spectrum2 object if return_annotation = F and a tibble with columns (mz,intensity,data) if return_annotation = T. The data column contains the predicted intensity at three energies and the SMILES string for the peak annotation.
Usage
1 | cfm_parse_spec(spec, return_annotation = T)
|
Arguments
spec |
Result from CFM precompute |
return_annotation |
T/F should annotation be returned |
Value
the predicted mass spectrum
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.
Embedding an R snippet on your website
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.