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mafreitas authored Mar 2, 2021
2 parents f0da4e9 + a17f05f commit 9d27dc2
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Showing 3 changed files with 5 additions and 1 deletion.
6 changes: 5 additions & 1 deletion tdf2mzml.py
Original file line number Diff line number Diff line change
Expand Up @@ -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]
Expand Down Expand Up @@ -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()
Expand Down
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