Journal of Applied Crystallography

Volume 28, Part 5 (October 1995)

research papers

J. Appl. Cryst. (1995). 28, 482-494 [ doi:10.1107/S0021889895003219 ]

Deconvolution of Energy Overlaps in Laue Diffraction

Z. Ren and K. Moffat

Abstract: The energy-overlap problem in Laue diffraction often makes a Laue diffraction data set incomplete in a systematic way: low-resolution reflections more commonly overlap with other reflections than do reflections at higher resolution. We describe the development and testing of a harmonic deconvolution procedure that resolves energy overlaps accurately and is based on the wavelength-normalization curve obtained from single reflections. The conditions for satisfactory harmonic deconvolution are identified by examination of a series of data sets that differ in their redundancy. This procedure has been incorporated in the software system LaueView [Ren & Moffat (1995). J. Appl. Cryst. 28, 461-481]. Results on Laue data sets from crystals of lysozyme and -haemolysin demonstrate that Laue data sets can be more than 90% complete even at 10 Å resolution and that structure amplitudes derived from these deconvoluted multiples can be as accurate as those derived from the best monochromatic data.