HMDBsearchR {speaq} | R Documentation |
Submit 1H NMR peaks to HMDB for compound search
Description
This function allows to search HMDB from within R by simply submitting the peaks you want to search for. The function will open a webpage with the query results or provide a link to the HMDB page with the results.
Usage
HMDBsearchR(peakVector, ppmTol = 0.02, returnURL = FALSE)
Arguments
peakVector |
A vector with ppm values of peaks |
ppmTol |
The ppm tolerance for the HMDB search (default = 0.02). |
returnURL |
Return the URL instead of opening a webpage. |
Value
Opens a webpage or returns a URL with the HMDB results
Author(s)
Charlie Beirnaert, charlie.beirnaert@uantwerpen.be
Examples
## Not run:
HMDBsearchR(peakVector = c(3.2, 3.38), ppmTol = 0.2, returnURL = TRUE)
## End(Not run)
[Package speaq version 2.7.0 Index]