String spectrumKey = Spectrum.getSpectrumKey(fileName, spectrumTitle);
MSnSpectrum spectrum = null;
if (recalibrate) {
spectrum = spectrumRecalibrator.recalibrateSpectrum(fileName, spectrumTitle, true, true);
spectrum.writeMgf(writerRecalibration);
}
if (identification.matchExists(spectrumKey)) {
psParameter = (PSParameter) identification.getSpectrumMatchParameter(spectrumKey, psParameter);
Integer charge = new Integer(psParameter.getSpecificMapKey());