Normalised PLGS scores

aukeheerdink · Dec 4, 2024 · 152b13f · 152b13f
1 parent e1ec7f5
commit 152b13f
Showing 1 changed file with 10 additions and 10 deletions.
diff --git a/rustyms/src/identification/plgs.rs b/rustyms/src/identification/plgs.rs
@@ -140,6 +140,16 @@ format_family!(
     }
 );
 
+impl From<PLGSData> for IdentifiedPeptide {
+    fn from(value: PLGSData) -> Self {
+        Self {
+            score: Some(2.0 / (1.0 + 1.3_f64.powf(-value.peptide_score)) - 1.0),
+            local_confidence: None,
+            metadata: MetaData::PLGS(value),
+        }
+    }
+}
+
 /// PLGS curation categories
 #[derive(Debug, Clone, Copy, PartialEq, Eq, Ord, Default, PartialOrd, Serialize, Deserialize)]
 pub enum PLGSCuration {
@@ -178,16 +188,6 @@ impl std::fmt::Display for PLGSCuration {
     }
 }
 
-impl From<PLGSData> for IdentifiedPeptide {
-    fn from(value: PLGSData) -> Self {
-        Self {
-            score: Some(value.peptide_score.clamp(-1.0, 1.0)),
-            local_confidence: None,
-            metadata: MetaData::PLGS(value),
-        }
-    }
-}
-
 /// An older version of a PLGS export
 pub const VERSION_3_0: PLGSFormat = PLGSFormat {
     version: PLGSVersion::V3_0,