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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.
A Spectrum is a PeakList with experimental spectrum information
- MsnSpectrum represents spectrum scan
- PeptideSpectrum represents peptide spectrum match (PSM)
- LibrarySpectrum represents spectrum spectrum match (SSM) for building spectral library
MsnSpectrum spectrum = new MsnSpectrum(PeakList.Precision.DOUBLE);
spectrum.setComment("my first spectrum");
spectrum.addRetentionTimes(new RetentionTimeList(new RetentionTimeDiscrete(0.57, TimeUnit.SECOND)));
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.
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