Yes, very interesting article, but it leaves out the most important information. The machine was used to "compute the structure of a molecule". But I don't know what that phrase means. It also doesn't tell us which molecules were chosen (hydrogen?, deuterium?, something larger?), nor does it say what information was revealed that we couldn't get from NMR.

I know it's a newspaper aimed at the man in the street, but I wish they wouldn't throw out tantalising hints like this and then fail to provide enough depth to understand the significance of the experiment.