properly parse IM from idXML

grosenberger · Jan 17, 2025 · 0780acb · 0780acb
1 parent bd78bcc
commit 0780acb
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/easypqp/convert.py b/easypqp/convert.py
@@ -560,7 +560,7 @@ def parse_idxml(self):
                                             'massdiff': float(0),
                                             'precursor_charge': int(p.getHits()[0].getCharge()),
                                             'retention_time': float(p.getRT()),
-											'ion_mobility': float(0),
+                                            'ion_mobility': float(p.getMetaValue("IM")) if p.getMetaValue("IM") is not None else np.nan,
                                             'modified_peptide': p.getHits()[0].getSequence().toUniModString().decode("utf-8"),
                                             'peptide_sequence': p.getHits()[0].getSequence().toUnmodifiedString().decode("utf-8"),
                                             'modifications': '-',
@@ -578,7 +578,7 @@ def parse_idxml(self):
                                             'massdiff': float(0),
                                             'precursor_charge': int(p.getHits()[0].getCharge()),
                                             'retention_time': float(p.getRT()),
-											'ion_mobility': float(0),
+                                            'ion_mobility': float(p.getMetaValue("IM")) if p.getMetaValue("IM") is not None else np.nan,
                                             'modified_peptide': p.getHits()[0].getSequence().toUniModString(),
                                             'peptide_sequence': p.getHits()[0].getSequence().toUnmodifiedString(),
                                             'modifications': '-',