diff --git a/msannika_fdr.py b/msannika_fdr.py index 90b043d..8e6c43d 100644 --- a/msannika_fdr.py +++ b/msannika_fdr.py @@ -6,7 +6,7 @@ # micha.birklbauer@gmail.com # version tracking -__version = "1.1.1" +__version = "1.1.2" __date = "2024-06-19" # REQUIREMENTS @@ -132,8 +132,8 @@ def group(data: pd.DataFrame) -> pd.DataFrame: "Protein Descriptions A": crosslinks[crosslink][0]["Accession A"], "Protein Descriptions B": crosslinks[crosslink][0]["Accession B"], "Best CSM Score": MSAnnika_CSM_Grouper.get_best_csm_score(crosslinks[crosslink]), - "In protein A": get_xl_position_in_protein(crosslinks[crosslink][0], True), - "In protein B": get_xl_position_in_protein(crosslinks[crosslink][0], False), + "In protein A": MSAnnika_CSM_Grouper.get_xl_position_in_protein(crosslinks[crosslink][0], True), + "In protein B": MSAnnika_CSM_Grouper.get_xl_position_in_protein(crosslinks[crosslink][0], False), "Decoy": MSAnnika_CSM_Grouper.get_decoy_flag(crosslinks[crosslink][0]), "Modifications A": crosslinks[crosslink][0]["Modifications A"], "Modifications B": crosslinks[crosslink][0]["Modifications B"],