Sentence examples for structure refinements from inspiring English sources

Convergence of structure refinements for the post-refined thermolysin XFEL data set at 2.6 Å resolution, using increasing numbers of diffraction images.

One of the most common cases of instability in crystal structure refinements is when the atomic displacement parameters refine to appreciably negative values.

Progress has been substantial but significant difficulties still remain in distant-homology identifications and atomic-level structure refinements despite the fact that the PDB library is approaching completeness in structural space [ 12, 13].

The structure refinements were carried out with SHELXL-97 software [28].

The quality of the obtained data allows for full structure refinements by the Rietveld method.

This map was used as the starting model for all subsequent structure refinements.

Structure refinement was performed by using the Phenix program and refined with tight NCS restraints [ 15].

Table of crystallographic data collection and structure refinement statistics (with PDB entries), Ks titration curve fittings, and other structural figures.

Crystal data and structure refinement.

The SHELXL97 program was used for structure refinement and interpretation.

6) Final model building and structure refinement is performed.  .