Solving one-dimensional structures by the algebraic approach

The algebraic approach is implemented with a procedure able to correct the observed reflection intensities in such a way that the modified intensities yield positive or semi-positive Karle-Hauptman matrices. By the modified i ntensities it is possible to determine the (almost infinitely resolved) Pat terson map. The de-convolution of the latter yields the unit-cell atomic co nfiguration. The procedure works satisfactorily for one-dimensional crystal s containing up to twenty atoms in the unit cell.