emzed.targeted¶

Targeted-analysis helpers built on molecular-formula and adduct enumeration.

Targeted annotation helpers for combining targets with adduct and isotope space.

`solution_space(targets, adducts, explained_abundance=0.999, resolution=None)` ¶

Expand target formulas into adduct and isotope hypotheses.

Parameters:

Name	Description	Default
`targets`	table containing at least `id` and `mf` columns.	required
`adducts`	adduct-definition table, typically from :mod:`emzed.chemistry.adducts`.	required
`explained_abundance`	cumulative isotope abundance to explain.	`0.999`
`resolution`	optional resolving power used for measured centroids.	`None`

Returns:

Type	Description
	table describing target/adduct/isotope combinations and expected m/z.