Please use the tabs above to navigate to the individual categories for the results of the automatic evaluation and the submission abstracts. The special page commended contains some structures that were submitted by participants and selected manually by the organising committee as being very likely to produce spectral data similar to the actual challenge data. All submissions were automatically compared against these to generate the ranks shown.

The winners are:

Category 1: Team A. Newsome and D. Nikolic

Andrew Newsome and Dejan Nikolic, University of Illinois at Chicago, IL, USA, submitted formulae for all the 12 challenges and obtained the correct formula ranked first for all of them (12/12); “full mark”! This and another team participated with manually determined formulae.

Three other teams submitted the formulae generated by using their automatic methods. Kai Dührkop and Sebastian Böcker, Friedrich-Schiller-University, Jena, Germany, submitted formulae for all the challenges and obtained the correct formula ranked first for ten challenges (10/12). Other two teams resulted in (8/8) and (4/12).

Category 2: Team A. Newsome and D. Nikolic

Andrew Newsome and Dejan Nikolic, University of Illinois at Chicago, USA, submitted structures for 15 challenges and obtained the correct structure ranked first for 14 of them (14/15) and the highly commended candidates ranked first for 1 of them; (15(1)/15) , where (1) is “include highly commended candidates ranked first for one result”. This and another team participated with the structures manually determined.

Four other teams submitted the structures generated by using their automatic methods. Daniel L. Sweeney, MathSpec, Inc., IL, USA, submitted structures for 14 challenges, which consist of the structures by his automatic method for 11 challenges and those by manual method for 3 challenges. He resulted in (8(1)/11) and (2/3) by automatic and manual methods, respectively. The other three teams using automatic methods resulted in 7(1)/12, 7(1)/16, and 2/12.

The detailed evaluation and comparison of the results will be published in the special issue "Critical assessment of Small Molecule Identification - Selected Papers from CASMI 2013" of the journal "Mass Spectrometry" later this year.

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