Adds a Java library implementation using MZMine3 and jgoslin with an example dataset from GNPS (PNNL negative mode lipids subset) and some initial, hard coded validations. Original lipid names in the directly exported mgf file had to be modified, sumformula was moved into a separate field, semicolon in lipid name was removed.
Adds a Java library implementation using MZMine3 and jgoslin with an example dataset from GNPS (PNNL negative mode lipids subset) and some initial, hard coded validations. Original lipid names in the directly exported mgf file had to be modified, sumformula was moved into a separate field, semicolon in lipid name was removed.