pcl: Triple-quoted masses
Resulting MF CSV contains triple-quoted masses in the Monoisotopic mass column. Why? We shall try to answer the question in this issue. @emma.schymanski (FYI).
What we know so far:
- The masses column contains well-formed real numbers and they all look like mass, despite the quotes.
- Many characteristic columns match up with their content. Checked SMILES, Formula, Names, Synonyms, ... This reduces a chance of column mix-up.