reetox-xmsannotator: compute mass defect

[hechth]

This tool wraps the compute_mass_defect function from the package.

Inputs

• a table (can be peak table or annotation table, both should be used for the tests) -> tabular, csv, parquet
• mass_defect_precision -> float

Output

• table with added column? -> format should be taken from the table input (see example below)

<data name="output_dataset" format_source="query_dataset" label="${tool.name} on ${on_string}">
  <change_format>
    <when input="query_dataset.ext" value="tsv" format="tabular" />
  </change_format>
</data>