Refinement of Twinned Structures withSHELXL-97
نویسندگان
چکیده
منابع مشابه
Cyclically twinned sulphosalt structures and their approximate analogues
Two homologous series of cyclically twinned sulphosalt structures are defined in the present paper, with different atomic configurations around the site of sixand threefold axes. The zinckenite homologous series, M6+x+N(N+S) A12+N(N+7), contains zinckenite, a Pb-Sb sulphosalt, and sulphohalogenides of Bi and Pb. The Ba Bi sulphide homologous series, M12+x+N(N+S) A18+N(N+7), contains complex sul...
متن کاملRefinement of Underdetermined Crystal Structures
The normal matrix for full matrix least squares contains a wealth of information about the behavior of the problem. In particular, the eigenvalues and eigenvectors contain all of the information concerning precision of parameter determination and correlation of parameters. This information is valid even if the refinement is underdetermined. Full-matrix analysis is likely to prove valuable for l...
متن کاملRuntime Refinement Checking of Concurrent Data Structures
We present a runtime technique for checking that a concurrent implementation of a data structure conforms to a high-level executable specification with atomic operations. The technique consists of two phases. In the first phase, the implementation code is instrumented in order to record information about its execution into a log. In the second phase, a verification thread runs concurrently with...
متن کاملLattice model refinement of protein structures
To find the best lattice model representation of a given full atom protein structure is a hard computational problem. Several greedy methods have been suggested where results are usually biased and leave room for improvement. In this paper we formulate and implement a Constraint Programming method to refine such lattice structure models. We show that the approach is able to provide better quali...
متن کاملTransformation and Refinement of Rigid Structures
Stochastic rule-based models of networks and biological systems are hard to construct and analyse. Refinements help to produce systems at the right level of abstraction, enable analysis techniques and mappings to other formalisms. Rigidity is a property of graphs introduced in Kappa to support stochastic refinement, allowing to preserve the number of matches for rules in the refined system. In ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2000
ISSN: 0108-7673
DOI: 10.1107/s0108767300021450