Description Usage Arguments Value Author(s)
View source: R/generateStdDBGC.R
When building an in-house database, it is imperative that pseudospectra are validated. This function provides the possibility of automatic validation by comparing the spectra to an external reference database, such as the NIST. Not meant to be called directly by the user.
1 | match2ExtDB(xsetList, extDB, settings)
|
xsetList |
A list of xcmsSet objects. |
extDB |
External database in msp format. |
settings |
Settings for the comparison, including as the most
important the minimal number of features required in a valid
pseudospectrum ( |
An msp object containing validated pseudospectra.
Ron Wehrens
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