msmu.tl.compute_precursor_isolation_purity_from_mzml
Calculate precursor isolation purity for all MS2 scans in the given mzML file.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
mzml_paths
|
str | Path | list
|
Full path(s) to the mzML file. |
required |
tolerance
|
float
|
Tolerance for precursor purity calculation. |
20.0
|
unit_ppm
|
bool
|
Whether to use ppm for tolerance. |
True
|
Returns:
| Type | Description |
|---|---|
PurityResult
|
pd.DataFrame: DataFrame with scan numbers and their corresponding purity scores. |