This is one of those papers that will transform how metabolomics data patterns at the spectral level within one project or repository can be analyzed. I anticipate this will become one of the most important tools we have to mine mass spec data. So proud of the team. So excited!
The richness of untargeted mass spectrometry data is a blessing and a curse. We created MassQL to help mass spectrometry users to sift through this deluge of data and find exactly the molecules and classes of molecules they were looking for by defining their own MS data searches.