golm.inchikey: retrieve inchikeys GOLM msp
In cbroeckl/csu.pmf.tools: a collection of features used internally at CSU PMF for non-targeted metabolomics data processing
View source: R/golm.inchikey.R
golm.inchikey R Documentation
retrieve inchikeys GOLM msp
Description
retrieve inchikeys GOLM msp
Usage
golm.inchikey(
ramclustObj = RC,
msp = "R:/RSTOR-PMF/Projects/Broeckling_Corey/GMD_20111121_VAR5_ALK_MSP.txt"
)
Arguments
ramclustObj
ramclustR object to edit
Details
convenience function for editing RC object. matches compound name to those in msp file, returns compound (metabolite) inchikey when available.
Value
returns an updated ramclustR object with inchikeys when available.
Author(s)
Corey Broeckling
cbroeckl/csu.pmf.tools documentation built on Sept. 30, 2022, 5:40 p.m.
R Package Documentation
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View source: R/golm.inchikey.R
| golm.inchikey | R Documentation |
retrieve inchikeys GOLM msp
Description
retrieve inchikeys GOLM msp
Usage
golm.inchikey( ramclustObj = RC, msp = "R:/RSTOR-PMF/Projects/Broeckling_Corey/GMD_20111121_VAR5_ALK_MSP.txt" )
Arguments
ramclustObj |
ramclustR object to edit |
Details
convenience function for editing RC object. matches compound name to those in msp file, returns compound (metabolite) inchikey when available.
Value
returns an updated ramclustR object with inchikeys when available.
Author(s)
Corey Broeckling
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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