Patterson-oriented automatic structure determination. Deconvolution techniques in space group P1

摘要: Several methods for the automatic determination of heavy-atom structures have been developed and extensively tested. The are based on a combination vector superposition in space group P1 with symmetry minimum function. peaks function used as trial origin shifts translational search cell origin. Three or two Patterson shift vectors, all belonging to single image, can be obtained by procedure called cross-vector superposition. map may refined an Fourier recycling before is started.