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The goal of the paper is to fit trilinear iso-surfaces out of volume data, by adopting an adaptive mesh refinement approach and therefore supporting a higher accuracy with respect to standard MC solutions.
Dolomanov, O. V. et al. A complete structure solution, refinement and analysis program.
Others have begun to perform alignment techniques based on a refinement approach [6].
I've found that when it comes to culture, a refinement approach rather than a reinvention approach often gets the best results.
In the near future, we propose to develop a web server based on our refinement approach.
We estimate that our stochastic parallel refinement is on average about 20 to 40 fold faster in comparison to the standard independent refinement approach.
The solution approach is demonstrated to scale optimally with respect to grid refinement (with CPU time growing linearly with the number of mesh points), and timestep (showing very weak dependence of CPU time with time-step size).
The solution: Not one approach, but several.
Data collection, structure solution and refinement.
Sample synthesis and characterization, analysis details, structure solution and refinement methods, and crystallographic data.
X-ray data reduction, structure solution and refinement were done using the SHELXL-97 program package.
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