Sentence examples for refinement programs from inspiring English sources

It is worthy to point out that the refinement converged better (lower Rfree and better stereo chemistry) when CNS and Refmac were used alternately than when the refinement was carried out using only one of the refinement programs.

This may be the result of some tight thereochemical restraints used in existing X-ray structure refinement programs [ 15, 16].

Like all other refinement programs, we have adopted the model of twins proposed by Jameson (1982 ▶) and Pratt et al. (1971 ▶).

The formulae discussed in this appendix have been known for nearly a century and have been implemented in all known refinement programs.

Ratios of 1.2 and 1.5 of H- with respect to the of the parent atom are being used in most refinement programs today.

It should be noted that it is customary to work within the 'riding' approximation, which results in the much simplified chain rule implemented in all refinement programs, including Olex2.

V1, V2, and V3 loops were added to the core structure as previously described [37] and refined by the loop refinement program.

In the case of 2a, 2h, 8b, and 10a the structure was solved and refined using the Bruker SHELXTL Software Package (Structure solution program- SHELXS-97 and Refinement program- SHELXL-97) [35] (cf. Additional files 1, 2, 3, 4, 5, 6, 7, 8, 9 and Table 6).

Non-psychological game theorists tend to take a dim view of much of the refinement program.

At this point Bacharach and his friends adopt the philosophical reasoning of the refinement program.

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