recetox-xmsannotator: compute isotopes

[hechth]

Wrapper for the compute_isotopes function from the package

Inputs

• annotation -> output of recetox-xmsannotator: simple annotation #612
• adduct_weights -> tabular
• peak_table -> output of recetox-xmannotator: compute_rt_modules #616 and reetox-xmsannotator: compute mass defect #613
• intensity_deviation_tolerance -> float
• mass_defect_tolerance -> float
• rt_rolerance -> float

Outputs

• annotation table with isotopes -> tabular