View source: R/constructExpPseudoSpectra.R
Function constructExpPseudoSpectra creates an msp object containing all the patterns referenced to in the annotation. The first argument is the output of function matchSamples2Samples and contains the full annotation matrix and the pseudospectra of the known unknowns; the second is the msp object containing the standards that are actually found. Not meant to be called directly by the user.
Result of a call to
Database of standard spectra, in msp format.
A list of spectra. All spectra from the database that are
referenced to in the annotation slot will be present, and will be
followed by all unknown spectra. In order to be able to see which
patterns in the experimental data are pointing to which spectra, an
DB.id is added, containing the position of the
reference spectrum in the original database (which is what the numbers
of the annotation object are referring to). Renumbering this is
impractical since some patterns may be seen as alternative
annotations, but may have no hits of their own - including them would
lead to rows containing only zeros.
## Example of results data(GCresults) ## pre-compiled results GCresults$PseudoSpectra
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