The use of partial observations, partial models and partial residuals to improve the least-squares refinement of crystal structures

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dc.contributor.authorRae, A David
dc.date.accessioned2015-12-10T23:06:14Z
dc.date.issued2013
dc.date.updated2016-02-24T10:26:00Z
dc.description.abstractSome common misconceptions in least-squares crystal structure refinement can be resolved by recasting the usual equations in terms of partial observations, partial models and partial residuals. An observation has components that are determined by an initi
dc.identifier.issn0889-311X
dc.identifier.urihttp://hdl.handle.net/1885/62678
dc.publisherTaylor & Francis Group
dc.sourceCrystallography Reviews
dc.subjectKeywords: Background; Choice of variables; Comparative refinement; Competitive refinement; Constraints; Data merging; Duplicated and semi-duplicated observations; Global phase; Hierarchical model; Independent variables; Initiation steps; Least Square; Look-ahead op (3 + 1) dimensional crystallography.; Background; Choice of variables; Comparative refinement; Competitive refinement; Composite structures; Constraints; Data merging; Data merging with feedback; Dependent and independent variables; Detection of systemati
dc.titleThe use of partial observations, partial models and partial residuals to improve the least-squares refinement of crystal structures
dc.typeJournal article
local.bibliographicCitation.issue4
local.bibliographicCitation.lastpage229
local.bibliographicCitation.startpage155
local.contributor.affiliationRae, A David, College of Physical and Mathematical Sciences, ANU
local.contributor.authoruidRae, A David, u9011622
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor030606 - Structural Chemistry and Spectroscopy
local.identifier.absseo970103 - Expanding Knowledge in the Chemical Sciences
local.identifier.ariespublicationu4005981xPUB724
local.identifier.citationvolume19
local.identifier.doi10.1080/0889311X.2013.816846
local.identifier.scopusID2-s2.0-84885647953
local.identifier.thomsonID000325244900002
local.type.statusPublished Version

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