4 Data processing, Structure solution and refinement
Applications of the diffraction technique in solid state chemistry from "<i>ab-initio</i>" structure solution to final structure refinement: powder and single crystal
... of structure solution, on the basis of the density measurements reported by Juza and using Endeavour, a simulated annealing ...first solution appeared quite soon and the proof was also made available ...
168
R Phase Structure Refinement Using Electron Diffraction Data
... Another reason could be the presence of a small amount of the B19 martensite in the R matrix. In the present work, the same material as in 6) was used, and some traces of the B19 martensite were indeed occasionally ...
6
Protein Structure Refinement Algorithms
... dimensional structure of a protein from its amino acid sequence remains a major chal- lenge in structural ...protein structure prediction could im- prove our understanding of how proteins function, aid in ...
146
A potential Centralized Ticket Data Processing Solution for airlines
... Proration can be performed by a single utility rather than by separate individual processes maintained by each individual airline, which may yield differing results. This functionality exists today as the industry ...
38
Semantic Role Labeling with Iterative Structure Refinement
... in data availabil- ity. Given larger amounts of training data typi- cally used in machine translation, their base mod- els and refinement networks overfit to a lesser ex- ...the refinement ...
12
Computational optimization algorithms for protein structure refinement
... protein structure refinement – ...two-step refinement protocol, called 3Drefine, to consistently bring the initial model closer to the native ...benchmark data, we found that around 80% of the ...
138
The CIF file, refinement details and validation of the structure
... 1. Lab book : Use a dedicated lab book for the determination of structures. The lab book should contain information not included in the electronic data (such as crystal size, color etc.) as well as your choices ...
25
Grain refinement in titanium alloys through thermomechanical processing
... grain structure at a lower strain level, through plastic deformation in conjunction with solid–solid reactions, such as recrystallization and phase ...UFG structure in titanium alloys such as Ti-6Al-4V, ...
230
Extraction of Abstraction Invariants for Data Refinement
... need to define some abstraction invariants to link the abstract variables with the concrete ones. The following refinement is defined to refine the previous TokensActs ma- chine. Here we give some hints on the internal ...
20
Refinement of the microstructure of light alloys using ultrasonic and laser processing
... 67 peritectic reaction temperature of 595 °C is consistent with literature data, such as 595 °C [181] and 596 °C [182]. For the alloy with USMT, the insertion of the sonotrode at 700 °C led to a sudden drop in ...
232
Mg rich wolfeite, (FeII,Mg)2(PO4)(OH): structure refinement and Raman spectroscopic data
... tetrahedra. All atoms are on general positions. Four of the eight independent Fe sites contain between 9 and 25% Mg substituting for Fe. Two of these four sites show distorted trigonal-bipyramidal coordination, whereas ...
15
X-Ray structure re-refinement. Combining old data with new methods for better structural bioinformatics.
... like refinement software, those programs and practices are subject to continuing developments and improvements, especially in view of the current interest and efforts towards better understanding radiation damage ...
154
GIS Lecture 3. Introduction to Raster GIS Data Structure and Raster Data Processing
... • Raster data model represents the spatial data as a regular grid of cells (pixels).. • Each cell represents an area of the land surface.[r] ...
55
Automated Payment Processing Solution
... Payment Processing is part of our Workplace Suite, written for ...external data, collate it, price it, bill it and take payment with the single push of the ...
12
A Review of Real World Big Data Processing Structure: Problems and Solutions
... trade data and frameworks, (for example, the accompanying such electrical insurance operation) nearby control choices, while as indicated by the framework prerequisites to facilitate these ...
13
Title: Data Processing in Cloud with AVL Structure and Bootstrap Access Control
... bulk data in a third party data warehouse which may have security threats and high ...The data are stored in an unstructured manner so that retrieval of data and processing them are ...
6
Similarity-aware query refinement for data exploration
... many data exploration problems where finding an optimal solution involves inspecting and examining a huge search space, possibly exponential, in a brute-force ...
156
Visualization Tools for Adaptive Mesh Refinement Data
... 3D data, requires no specialized graph- ics hardware, and can run in parallel on both SMP and distributed memory parallel ...arbitrary data ranges, and set viewing ...from data files and for pre- ...
15
Visualization of Scalar Adaptive Mesh Refinement Data
... AMR data. Their main goal is preserving the original patch structure and “identity” of cells, enabling a user to determine to what particular patch cell a triangle of an isosurface ...
14
Specification Reuse using Data Refinement in Dafny
... underlying data structure. For instance if data structure A is being used in the implementation and we need to replace it with a data structure B in order to improve the system ...
61