Sum Formula node

Hi,

The Sum Formula node is really useful for working out some structures from LCMS ions.

Is it possible to refine the node a little. The user may know what atom types are present in the molecule (i.e. Br, Cl, etc), so it possible to have a box to type in known atom types to be present, and therefore any proposed molecular formulas which do not contain all these atom types are filtered out when the "exclude filtered" is selected.

Simon.

Hi Simon,

that's is possible and might speed up execution time.

Any reason why you wouldn't want to use the Element Filter node after the Sum Formula node to achieve the same result?

Best regards,

Stephan

That is a good point, this may well do the trick completely satisfactorily.

 

Thanks,

Simon.