File Download

There are no files associated with this item.

  Links for fulltext
     (May Require Subscription)
Supplementary

Article: Evaluation of reflection intensities for the components of multiple Laue diffraction spots. III. Using a real-space density modification method

TitleEvaluation of reflection intensities for the components of multiple Laue diffraction spots. III. Using a real-space density modification method
Authors
Issue Date1995
PublisherBlackwell Munksgaard. The Journal's web site is located at http://www.blackwellpublishing.com/journals/JSY
Citation
Journal of Synchrotron Radiation, 1995, v. 2, p. 27-30 How to Cite?
AbstractIn a 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 structural 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 and 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.
Persistent Identifierhttp://hdl.handle.net/10722/138620
ISSN
2014 Impact Factor: 2.794
2015 SCImago Journal Rankings: 1.211
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorHao, Qen_US
dc.contributor.authorHarding, MMen_US
dc.contributor.authorCampbell, JWen_US
dc.date.accessioned2011-09-02T06:49:22Z-
dc.date.available2011-09-02T06:49:22Z-
dc.date.issued1995en_US
dc.identifier.citationJournal of Synchrotron Radiation, 1995, v. 2, p. 27-30en_US
dc.identifier.issn0909-0495en_US
dc.identifier.urihttp://hdl.handle.net/10722/138620-
dc.description.abstractIn a 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 structural 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 and 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.en_US
dc.publisherBlackwell Munksgaard. The Journal's web site is located at http://www.blackwellpublishing.com/journals/JSYen_US
dc.relation.ispartofJournal of Synchrotron Radiationen_US
dc.titleEvaluation of reflection intensities for the components of multiple Laue diffraction spots. III. Using a real-space density modification methoden_US
dc.typeArticleen_US
dc.identifier.emailHao, Q: qhao@hku.hken_US
dc.identifier.authorityHao, Q=rp01332en_US
dc.identifier.doi10.1107/s0909049594009660en_US
dc.identifier.volume2en_US
dc.identifier.spage27en_US
dc.identifier.epage30en_US
dc.identifier.isiWOS:A1995RP37800005-

Export via OAI-PMH Interface in XML Formats


OR


Export to Other Non-XML Formats