Allow for  MS1 PEPMASS info to be written to file
@@ -149,8 +149,8 @@ public class SiriusExportTask extends AbstractTask
String rowID = Integer.toString(row.getID());
if (rowID != null) writer.write("FEATURE_ID=" + rowID + newLine);
-// String mass = Double.toString(row.getAverageMZ());
-// if (mass != null) writer.write("PEPMASS=" + mass + newLine);
+ String mass = Double.toString(row.getAverageMZ());
+ if (mass != null) writer.write("PEPMASS=" + mass + newLine);
String retTimeInSeconds = Double.toString(row.getAverageRT() * 60);
if (retTimeInSeconds != null)
@@ -200,7 +200,6 @@ public class SiriusExportTask extends AbstractTask
writer.write("BEGIN IONS"+newLine);
- String mass = Double.toString(row.getAverageMZ());
if (mass != null) writer.write("PEPMASS=" + mass + newLine);
writer.write("CHARGE=1"+newLine);
if(rowID != null) {
