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emzed.ms2

export_sirius_files(peak_table, output_folder, abs_min_intensity=0.0, rel_min_intensity=0.0, *, overwrite=False)

exports peaks with attached ms2 spectra as sirius .ms files to the specified folder.

Parameters:

Name Type Description Default
peak_table

peak table with column spectra_ms2. Columns rt and id can be helpful to identify results in sirius, but are optional.

 required
output_folder

folder to write sirius files to.

 required
abs_min_intensity

filter ms2 spectra by absolute minimal intensity. if rel_min_intensity is also specified peaks compliant to both criteria are exported.

 0.0
rel_min_intensity

filter ms2 spectra by relatie minimal intensity compared to highest ms2 peak. if abs_min_intensity is also specified peaks compliant to both criteria are exported.

 0.0
overwrite

set to True when the output folder already contains .ms files and you take the risk to potentially overwrite existing files.

 False