Abstract

The calculation of general three-dimensional heavy-atom phases, without assumption of heavy-atom sites, using the tangent formula is investigated. Phases obtained in this way have an average difference of 27 ° as compared with phases calculated for the known heavy-atom constellation in the K2PtCl6 derivative of ribonuclease in space groupP21. Five out of eight of the phase sets produce the correct heavy atom positions by calculation of Δ.E maps.

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