recetox-xmsannotator: compute isotopes - Githubissues

RECETOX / galaxytools

Set of Galaxy tool wrappers developed at RECETOX

MIT License

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recetox-xmsannotator: compute isotopes #617

Open hechth opened 1 week ago

hechth commented 1 week ago

Wrapper for the compute_isotopes function from the package

Inputs

annotation -> output of #612
adduct_weights -> tabular
peak_table -> output of #616 and #613
intensity_deviation_tolerance -> float
mass_defect_tolerance -> float
rt_rolerance -> float

Outputs

annotation table with isotopes -> tabular