[ ] Add parameters mz.colname and int.colname for column names of spectrum data frame parameter. Set them to NULL by default, and detect column name automatically by looking for mz, peak.mz, intpeak.intensity and peak.relative.intensity.
[ ] Remove simplifySpectrum() and rely on computeFields() to compute relative intensity from intensity if present.
mz.colnameandint.colnamefor column names ofspectrumdata frame parameter. Set them toNULLby default, and detect column name automatically by looking formz,peak.mz,intpeak.intensityandpeak.relative.intensity.simplifySpectrum()and rely oncomputeFields()to compute relative intensity from intensity if present..compareSpectra()intoBiodbMassdbConn.