diff --git a/tdf2mzml.py b/tdf2mzml.py index 674e858..9245e2f 100755 --- a/tdf2mzml.py +++ b/tdf2mzml.py @@ -236,6 +236,10 @@ def get_spectrum_dict(mzml_data_struct): "Select Value from GlobalMetadata where key=\"AcquisitionSoftwareVersion\"" ).fetchone()[0] + spectrum_dict['acq_date_time'] = mzml_data_struct['td'].conn.execute( + "Select Value from GlobalMetadata where key=\"AcquisitionDateTime\"" + ).fetchone()[0] + spectrum_dict['mz_acq_range_lower'] = mzml_data_struct['td'].conn.execute( "Select Value from GlobalMetadata where key=\"MzAcqRangeLower\"" ).fetchone()[0] @@ -821,7 +825,7 @@ def write_mzml(args): logging.info("Processing {} Spectra.".format(total_spectra_count)) logging.info("Reading, Merging and Formating Frames for mzML") - with mzml_data_struct['writer'].run(id=1, instrument_configuration='IC1'): + with mzml_data_struct['writer'].run(id=1, instrument_configuration='IC1', start_time=mzml_data_struct['data_dict']['acq_date_time']): with mzml_data_struct['writer'].spectrum_list(count=total_spectra_count): # Process Frames mzml_data_struct['scan_loop_time1'] = time.time() diff --git a/timsdata.dll b/timsdata.dll new file mode 100644 index 0000000..6a5c5f3 Binary files /dev/null and b/timsdata.dll differ diff --git a/timsdata.lib b/timsdata.lib new file mode 100644 index 0000000..dfd86e1 Binary files /dev/null and b/timsdata.lib differ