Sentence examples for refinement the structure from inspiring English sources

Structure analysis and refinement: The structure was solved by molecular replacement and single-wavelength anomalous dispersion (MR-SAD).

After initial molecular replacement, electron density corresponding to a bound ligand was immediately visible at the ATP binding pocket, and following several rounds of refinement the structure of 6 was modelled into the electron density with high confidence.

Based on Rietveld structural refinement, the crystal structure is determined as single phase unfilled TTB structure which can be refined in P4bm space group.

The refinement of the structure was performed by the Rietveld method and the FULLPROF refinement program [18].

As a consequence the refinement per strain increment is larger than the restoration rate, resulting in a net refinement of the structure until an equilibrium condition between these two competing processes is reached.

The refined Put2p structure was used as the starting point for refinement of the structure of the Put2p NAD+ complex.

Based on refinement results, the structure was orthorhombic having the lattice parameters shown in Table 1.

After hot pressing, refinement of the structure and reduction of the porosity to 1 % occurred (Fig. 1b).

Refinement of the structure finally converged with an R-work of 0.204 and R-free of 0.238.

The structure was solved by direct methods and least-squares refinement of the structure was performed by the SHELXL-2007 program [31].

Slow heating of the nanofragmented alloy at a rate below 2 °C/s results in nanograin refinement of the structure by multiplication of the reverted γ-phase orientations.