Sentence examples for refinement performed from inspiring English sources

After several well-defined water molecules were added and a further five cycles of refinement performed, TPQ was rebuilt with occupancy of 0.5 for each conformation and refined with a final B-factor of around 25 Å for each.

The DSM approach using the uncertainty-driven refinement performed best.

Full profile Rietveld refinement, performed in space group Pbnm, led to an excellent agreement between calculated and experimental profiles for all PrCo1 − x Fe x O3 samples.

Full profile Rietveld refinement, performed in space group Pbnm, shows excellent agreement between experimental and calculated diffraction patterns (Fig. 1) thus proving phase purity and crystal structure of the samples.

Full-profile Rietveld refinement performed in space group R  ( overline{3} )  с resulted in excellent agreement between calculated and experimental profiles (see, for example, Fig. 2) and led to the final structural parameters and residuals presented in Table 1.

Also, cell parameter refinement performed by Celref software version 3 (Laboratoire des Materiaux et du Génie Physique de l'Ecole Supérieure de Physique de Grenoble, Grenoble, France) shows the preferential orientation of crystals in the products due to changing the reaction time.

Perhaps the correlation between R_free and model quality could be shown for the ensemble refinements performed?

For all these additional structures, rigid body refinement, simulated annealing, positional and TLS refinement were performed.

Refinement was performed using a TLS and restrained refinement along with noncrystallographic symmetry (NCS) restraints.

For the D233G Y306F HDAcomplexTranslationex, Translibrationbration screw (TLS) refinement was performed in the late stages of refinement.

Once the refinement reaches the maximum level, no further mesh refinement is performed.