Recipe 1.3 - Creating Spectrum


You want to make instance of Spectrum.


Spectrum is a PeakList. It is an abstract class that wraps a PeakList. Actually, 3 implementations are provided.

  1. MsnSpectrum represents spectrum scan
  2. PeptideSpectrum represents peptide spectrum match (PSM)
  3. LibrarySpectrum represents spectrum spectrum match (SSM) for building spectral library
A Spectrum is a PeakList with experimental spectrum information

MsnSpectrum spectrum = new MsnSpectrum(PeakList.Precision.DOUBLE);
spectrum.setComment("my first spectrum");
spectrum.addRetentionTimes(new RetentionTimeList(new RetentionTimeDiscrete(0.57, TimeUnit.SECOND)));


See also

Recipe 1.1 describes how to add and access peaks.

Recipe 2.1 show you how to use our MS readers.

Recipe 3.2 explains how to generate theoretical peptide spectrum.