change back to state of development branch

wilhelm-lab · Nov 10, 2023 · d9dd45f · d9dd45f
1 parent 8a632d4
commit d9dd45f
Showing 1 changed file with 9 additions and 7 deletions.
diff --git a/spectrum_io/search_result/maxquant.py b/spectrum_io/search_result/maxquant.py
@@ -42,14 +42,16 @@ def read_result(path: Union[str, Path], tmt_labeled: str) -> pd.DataFrame:
             path,
             usecols=lambda x: x.upper()
             in [
-                "FILENAME",
-                "SCANNR",
-                "PEPTIDE",
+                "RAW FILE",
+                "SCAN NUMBER",
+                "MODIFIED SEQUENCE",
                 "CHARGE",
-                "HYPERSCORE",
-                "CALCMASS",
-                "PROTEINS"                       
-                ],
+                "SCAN EVENT NUMBER",
+                "LABELING STATE",
+                "MASS",  # = Calculated Precursor mass; TODO get column with experimental Precursor mass instead
+                "SCORE",
+                "REVERSE",
+            ],
             sep="\t",
         )
         logger.info("Finished reading msms.txt file")