Add comment about mfg pepmass being precursor m/z

NPLinker · Nov 25, 2024 · ce136cf · ce136cf
1 parent 1e4e6fb
commit ce136cf
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/src/nplinker/metabolomics/gnps/gnps_spectrum_loader.py b/src/nplinker/metabolomics/gnps/gnps_spectrum_loader.py
@@ -85,6 +85,8 @@ def _load(self) -> None:
 
             # Load the spectrum
             spectrum_id: str = spec["params"]["scans"]
+            # The pepmass in an mgf file is actually the m/z and not the peptide mass 
+            # See: https://www.matrixscience.com/help/obsolete_data_file_formats.html
             precursor_mz: float = spec["params"]["pepmass"][0]
             precursor_charge: int = spec["params"]["charge"][0]
             rt = spec["params"].get("rtinseconds", 0)