update: example

bigbio · Nov 11, 2024 · c11734d · c11734d
1 parent fd6842d
commit c11734d
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Showing 4 changed files with 7 additions and 4 deletions.
diff --git a/docs/include/example.psm.parquet b/docs/include/example.psm.parquet
diff --git a/docs/score_map_msg.tsv b/docs/score_map_msg.tsv
@@ -0,0 +1,3 @@
+type	field	desc	map 	accession
+maxquant	Score	Andromeda:score	andromeda_score	MS:1002338
+maxquant	Delta score	Andromeda: delta score	andromeda_delta_score	MS:1003433
diff --git a/quantmsio/core/common.py b/quantmsio/core/common.py
@@ -76,7 +76,7 @@
     "Modified sequence": "peptidoform",
     "Raw file": "reference_file_name",
     "Score": "andromeda_score",
-    "Delta score": "delta_score",   
+    "Delta score": "andromeda_delta_score",   
     "PIF": "parent_ion_score"
 }
 
@@ -91,7 +91,7 @@
     "Modified sequence": "peptidoform",
     "Raw file": "reference_file_name",
     "Score": "andromeda_score",
-    "Delta score": "delta_score",
+    "Delta score": "andromeda_delta_score",
     "PIF": "parent_ion_score",  
     "Reverse": "is_decoy",
     "m/z": "observed_mz",

diff --git a/quantmsio/core/maxquant.py b/quantmsio/core/maxquant.py
@@ -247,10 +247,10 @@ def main_operate(self, df: pd.DataFrame):
         self.generate_modification_details(df)
         df = df[df["posterior_error_probability"] < 0.05].copy()
         df["is_decoy"] = df["is_decoy"].map({None: "0", np.nan: "0", "+": "1"})
-        df["additional_scores"] = df[["andromeda_score", "delta_score"]].apply(
+        df["additional_scores"] = df[["andromeda_score", "andromeda_delta_score"]].apply(
             lambda row: [
                 {"score_name": "andromeda_score", "score_value": row["andromeda_score"]},
-                {"score_name": "delta_score", "score_value": row["delta_score"]},
+                {"score_name": "andromeda_delta_score", "score_value": row["andromeda_delta_score"]},
             ],
             axis=1
         )