Double q1 = scan.getIsolations().get(0).getPrecursorMz(); q1IsolationMzRangeMap.put(q1, scan.getIsolations().get(0).getIsolationMzRange()); q3IsolationMzRangeMap.put(q3, q3IsolationMzRange);
Double precursorMz = ii.getPrecursorMz(); if (precursorMz == null) continue; writer.write("PEPMASS=" + precursorMz); writer.newLine(); if (ii.getPrecursorCharge() != null) { writer.write("CHARGE=" + ii.getPrecursorCharge()); writer.newLine();
if (isolationInfo.getPrecursorMz() != null) { Double mz = isolationInfo.getPrecursorMz(); writeCVParam(xmlStreamWriter, new MzMLCVParam(MzMLCV.cvIsolationWindowTarget, String.valueOf(mz), "isolation window target m/z", MzMLCV.cvMz)); if (isolationInfo.getActivationInfo() != null) { ActivationInfo activationInfo = isolationInfo.getActivationInfo();
if (isolationInfo.size() < 1) continue; else if (isolationInfo.get(isolationInfo.size() - 1).getPrecursorMz() == null) { continue; } else { selectedMz = isolationInfo.get(isolationInfo.size() - 1).getPrecursorMz();
if (isolationInfo.getPrecursorMz() != null) { Double mz = isolationInfo.getPrecursorMz(); writeCVParam(xmlStreamWriter, new MzMLCVParam(MzMLCV.cvIsolationWindowTarget, String.valueOf(mz), "isolation window target m/z", MzMLCV.cvMz)); if (isolationInfo.getActivationInfo() != null) { ActivationInfo activationInfo = isolationInfo.getActivationInfo();
Double q1 = scan.getIsolations().get(0).getPrecursorMz(); q1IsolationMzRangeMap.put(q1, scan.getIsolations().get(0).getIsolationMzRange()); q3IsolationMzRangeMap.put(q3, q3IsolationMzRange);