Examples with SimpleRawDataFile io.github.msdk.datamodel.SimpleRawDataFile used on opensource projects

Example 1 with SimpleRawDataFile

use of io.github.msdk.datamodel.SimpleRawDataFile in project mzmine2 by mzmine.

the class ExportScansTask method exportmzML.

/**
 * Export the chromatogram - mzML format
 *
 * @throws IOException if there are i/o problems.
 */
public void exportmzML() throws MSDKException {
    // Initialize objects
    SimpleRawDataFile msdkRawFile = new SimpleRawDataFile("MZmine 2 mzML export", Optional.empty(), FileType.MZML);
    for (Scan scan : scans) {
        MsScan MSDKscan = new MZmineToMSDKMsScan(scan);
        msdkRawFile.addScan(MSDKscan);
    }
    // Actually write to disk
    MzMLFileExportMethod method = new MzMLFileExportMethod(msdkRawFile, exportFile, MzMLCompressionType.ZLIB, MzMLCompressionType.ZLIB);
    method.execute();
}