Premium
Deconvolution of Energy Overlaps in Laue Diffraction
Author(s) -
Ren Z.,
Moffat K.
Publication year - 1995
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889895003219
Subject(s) - deconvolution , monochromatic color , diffraction , resolution (logic) , optics , redundancy (engineering) , energy (signal processing) , algorithm , data redundancy , normalization (sociology) , physics , mathematics , computer science , quantum mechanics , artificial intelligence , sociology , anthropology , operating system
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 α ‐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.