diff --git a/src/nplinker/metabolomics/gnps/gnps_molecular_family_loader.py b/src/nplinker/metabolomics/gnps/gnps_molecular_family_loader.py index 99e17c32..5b83058a 100644 --- a/src/nplinker/metabolomics/gnps/gnps_molecular_family_loader.py +++ b/src/nplinker/metabolomics/gnps/gnps_molecular_family_loader.py @@ -20,7 +20,7 @@ def __init__(self, file: str | PathLike): The "ComponentIndex" column in the GNPS molecular family's file is treated as family id. But for molecular families that have only one member (i.e. spectrum), - named singleton molecular families, have the same value of + named singleton molecular families, their files have the same value of "-1" in the "ComponentIndex" column. To make the family id unique,the spectrum id plus a prefix "singleton-" is used as the family id of singleton molecular families.