fixing m/z calculation

compomics · May 7, 2024 · bf50872 · bf50872
1 parent 1af95ae
commit bf50872
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/psm_utils/io/xtandem.py b/psm_utils/io/xtandem.py
@@ -163,7 +163,7 @@ def _parse_entry(self, entry, run: str) -> list:
                     score = -np.log(peptide_entry[self.score_key])
                     if self.score_key == "expect"
                     else peptide_entry[self.score_key],
-                    precursor_mz = entry["mh"] - mass.nist_mass["H"][0][0],
+                    precursor_mz = entry["mh"] / entry["z"],
                     retention_time = entry["rt"],
                     run = run,
                     protein_list = [ protein_entry["note"] ],