Bug report:
I have multiple versions of MS-DIAL installed for continuity with different ongoing lipidomics projects. I discovered that a reexported alignment result from one of my projects did not match the export I had originally generated months before. It had the same alignment IDs and metabolite names and such, but reference mass, reference rt, formula, ontology, INCHIKEY, and SMILES were all nonsensical for the listed metabolite name. After some testing, I’ve realized that if you save an MS-DIAL project, load it later and rerun the identification with a different version’s lipid library, the previous alignment result’s IDs will be replaced with lipids from the other version's library, which won’t necessarily correspond to the original IDs. When exporting the alignment parameters, it also replaces the library name, so there’s no record of the original processing and its IDs. This seems to be true for all the versions I’ve been using (4.70, 4.90, and 4.9221218).
Thanks!
Bug report:
I have multiple versions of MS-DIAL installed for continuity with different ongoing lipidomics projects. I discovered that a reexported alignment result from one of my projects did not match the export I had originally generated months before. It had the same alignment IDs and metabolite names and such, but reference mass, reference rt, formula, ontology, INCHIKEY, and SMILES were all nonsensical for the listed metabolite name. After some testing, I’ve realized that if you save an MS-DIAL project, load it later and rerun the identification with a different version’s lipid library, the previous alignment result’s IDs will be replaced with lipids from the other version's library, which won’t necessarily correspond to the original IDs. When exporting the alignment parameters, it also replaces the library name, so there’s no record of the original processing and its IDs. This seems to be true for all the versions I’ve been using (4.70, 4.90, and 4.9221218).
Thanks!