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Evaluation of Reflection Intensities for the Components of Multiple Laue Diffraction Spots. III. Using a Real-Space Density Modification Method.

Evaluation of Reflection Intensities for the Components of Multiple Laue Diffraction Spots. III. Using a Real-Space Density Modification Method. Research Abstract Details 

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  • Evaluation of Reflection Intensities for the Components of Multiple Laue Diffraction Spots. III. Using a Real-Space Density Modification Method. Abstract Text:

    q haoQ Hao,m m hardingM M Harding,j w campbellJ W Campbell,

    In the Laue diffraction pattern, 10--20% of the spots result from the exact superposition of two or more reflections that are ;harmonics', e.g. hkl; 2h 2k 2l, ...; a high proportion of these are low-resolution reflections. For the solution of large or difficult structure problems, the intensities of the remaining 80-90% of the reflections, measurable as singles, may not be sufficient and thus the evaluation of the intensities of the components of the multiple spots is important. A new procedure, DECONV, for this deconvolution using real-space density modifications on the Patterson map is given. This development is based on a procedure in reciprocal space related to direct methods [Hao, Campbell, Harding & Helliwell (1993). Acta Cryst. A49, 528-531]. A Patterson map is calculated using single reflections and modified by removing negative densities and squaring with an appropriate adjustment at the origin peak. The procedure can be repeated until convergence is reached. It has been tested with Laue diffraction data from 4Zn insulin and cytochrome c peroxidase (CCP). 304 and 1134 reflection intensities were evaluated from multiple spots of insulin and CCP, respectively; the mean fractional differences (on F), showing the agreement with high-quality monochromatic data, were 0.27 and 0.21, respectively.

    Evaluation of Reflection Intensities for the Components of Multiple Laue Diffraction Spots. III. Using a Real-Space Density Modification Method. Publishing Authors By Initials

    q haoQ Hao,mm hardingMM Harding,jw campbellJW Campbell,

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    Evaluation of Reflection Intensities for the Components of Multiple Laue Diffraction Spots. III. Using a Real-Space Density Modification Method. Journal Published:

    PUBLICATION TYPE: Journal Article

    Journal: Journal of synchrotron radiation

    VOLUME: 2

    Page Numbers: 27-30

    Journal Abbreviation:

    ISSN: 0909-0495

    DAY: 1

    MONTH: Jan

    YEAR: 1995

    Evaluation of Reflection Intensities for the Components of Multiple Laue Diffraction Spots. III. Using a Real-Space Density Modification Method. Information

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    LANGUAGE: eng

    NlmUniqueID: 9888878

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    Country: Denmark

    Denmark Research PublicationDenmark Research Publication

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    MEDLINETA: J Synchrotron Radiat

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