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The performance of a combinatorial simultaneous optimisation algorithm (SO) is tested using experimental LEED I(E) data from Cu(100) and Fe 0.57 Al 0.47 (100) surfaces. SO optimises structures taking advantage of the experimental database at two levels: (i) conmensurate subsets of the database with the number of unknown parameters are chosen to find local solutions using Broyden's method and, (ii) these partial structural solutions are used to build a Markov chain over the whole database. Thisdoi:10.1088/0953-8984/20/30/304201 fatcat:zyhanhmymnbobbnnswptuk7ryq