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Article: Evaluation of Reflection Intensities for the Components of Multiple Laue Diffraction Spots by the Maximum-Entropy Method

TitleEvaluation of Reflection Intensities for the Components of Multiple Laue Diffraction Spots by the Maximum-Entropy Method
Authors
Issue Date1997
PublisherWiley-Blackwell Publishing, Inc.. The Journal's web site is located at http://www.wiley.com/bw/journal.asp?ref=0108-7673&site=1
Citation
Acta Crystallographica Section A: Foundations Of Crystallography, 1997, v. 53 n. 5, p. 643-648 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'; 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 method for this deconvolution is presented that is based on maximizing the entropy of the Patterson function subject to the constraints imposed by the observed intensities of single and overlapping reflections. This method does not require data redundancy and therefore is of particular interest for time-resolved studies on a short time scale. A new computer program (ME) was implemented and tested with Laue diffraction data from hen egg white lysozyme. The R factor between the deconvoluted reflection intensities from Laue multiple spots and observed intensities from monochromatic data was 0.116.
Persistent Identifierhttp://hdl.handle.net/10722/91886
ISSN
2014 Impact Factor: 2.325
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorXie, Yen_HK
dc.contributor.authorHao, Qen_HK
dc.date.accessioned2010-09-17T10:29:32Z-
dc.date.available2010-09-17T10:29:32Z-
dc.date.issued1997en_HK
dc.identifier.citationActa Crystallographica Section A: Foundations Of Crystallography, 1997, v. 53 n. 5, p. 643-648en_HK
dc.identifier.issn0108-7673en_HK
dc.identifier.urihttp://hdl.handle.net/10722/91886-
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'; 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 method for this deconvolution is presented that is based on maximizing the entropy of the Patterson function subject to the constraints imposed by the observed intensities of single and overlapping reflections. This method does not require data redundancy and therefore is of particular interest for time-resolved studies on a short time scale. A new computer program (ME) was implemented and tested with Laue diffraction data from hen egg white lysozyme. The R factor between the deconvoluted reflection intensities from Laue multiple spots and observed intensities from monochromatic data was 0.116.en_HK
dc.languageengen_HK
dc.publisherWiley-Blackwell Publishing, Inc.. The Journal's web site is located at http://www.wiley.com/bw/journal.asp?ref=0108-7673&site=1en_HK
dc.relation.ispartofActa Crystallographica Section A: Foundations of Crystallographyen_HK
dc.titleEvaluation of Reflection Intensities for the Components of Multiple Laue Diffraction Spots by the Maximum-Entropy Methoden_HK
dc.typeArticleen_HK
dc.identifier.emailHao, Q: qhao@hku.hken_HK
dc.identifier.authorityHao, Q=rp01332en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1107/s0108767397006429en_US
dc.identifier.scopuseid_2-s2.0-0013507928en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0013507928&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume53en_HK
dc.identifier.issue5en_HK
dc.identifier.spage643en_HK
dc.identifier.epage648en_HK
dc.identifier.isiWOS:A1997YB34400012-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridXie, Y=7403958892en_HK
dc.identifier.scopusauthoridHao, Q=7102508868en_HK

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