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The intensity calculations were converged to 0.02% when using 22 phase shifts. Convergence levels of 6%, 2%, and 0.1% were found for 10, 14, and 18 phase shifts, respectively. Increasing the number of phase shifts used in the structure determination from 14 to 18 led to changes in the optimum values of the interlayer spacings of the order of (Formula presented) and to changes in the optimum values of the rms vibrational amplitudes of order (Formula presented).
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The intensity calculations were converged to 0.02% when using 22 phase shifts. Convergence levels of 6%, 2%, and 0.1% were found for 10, 14, and 18 phase shifts, respectively. Increasing the number of phase shifts used in the structure determination from 14 to 18 led to changes in the optimum values of the interlayer spacings of the order of (Formula presented) and to changes in the optimum values of the rms vibrational amplitudes of order (Formula presented).
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