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Add 'RetentionTimeMins' to MSP output (fix)
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RalfG authored Jun 24, 2019
1 parent 0a63fc9 commit 4f744c5
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion ms2pip_tools/spectrum_output.py
Original file line number Diff line number Diff line change
Expand Up @@ -134,7 +134,7 @@ def write_msp(all_preds_in, peprec_in, output_filename, write_mode='wt+'):
out.append('\nCharge: {}\n'.format(charge))

if add_rt:
out.append('RetentionTimeMins: {}\n'.format(peprec_sel[rt_index] * 60))
out.append('RetentionTimeMins: {}\n'.format(peprec_sel[rt_index] / 60))

out.append('Num peaks: {}\n'.format(numpeaks))

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