All steps of structure solution procedure

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The steps of structure solution procedure


Using the command %continue, the program runs in default conditions carrying out the commands

%extraction
%normal
%invar
%phase
%fourier
%menu
%end

and each command corresponds to a step in the structure solution with Direct Methods. All the following steps are described.


1)Extraction of the integrated intensities (%extraction command)

2)Normalization of the integrated intensities (%normal command)

3)Estimate of structure invariants (%invariants command)

4)Application of the tangent formula (%phase command)

5)Crystal structure completion and refinement (%fourier command)




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