DECONVOLUTION OF ENERGY OVERLAPS IN LAUE DIFFRACTION

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