Merge pull request #8 from theoplatt/master

Pull serial number from GlobalMetadata

tdf2mzml.py

@@ -241,6 +241,10 @@ def get_spectrum_dict(mzml_data_struct):
  "Select Value from GlobalMetadata where key=\"AcquisitionDateTime\""
  ).fetchone()[0]
 
+ spectrum_dict['instrument_serial_number'] = mzml_data_struct['td'].conn.execute(
+ "Select Value from GlobalMetadata where key=\"InstrumentSerialNumber\""
+ ).fetchone()[0]
+
  spectrum_dict['mz_acq_range_lower'] = mzml_data_struct['td'].conn.execute(
  "Select Value from GlobalMetadata where key=\"MzAcqRangeLower\""
  ).fetchone()[0]
@@ -487,6 +491,7 @@ def write_instrument_configuration_list(mzml_data_struct):
  source = mzml_data_struct['writer'].Source(1, ["nanospray inlet", "quadrupole"])
  analyzer = mzml_data_struct['writer'].Analyzer(2, ["time-of-flight"])
  detector = mzml_data_struct['writer'].Detector(3, ["microchannel plate detector","photomultiplier"])
+ serial_number = mzml_data_struct['data_dict']['instrument_serial_number']
 
  instrument_configurations.append(
  mzml_data_struct['writer'].InstrumentConfiguration(
@@ -497,7 +502,7 @@ def write_instrument_configuration_list(mzml_data_struct):
  detector
  ],
  params=[
- {"instrument serial number": "1854399.86"}
+ {"instrument serial number": serial_number}
  ]
  )
  )