Sentence examples for refinement program from inspiring English sources

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].

The Rietveld refinement (program Jana) of its experimental XRD powder pattern leads to good agreement factors of Rp = 2.04, Rwp = 2.85 and χ2 = 2.59 (Fig. 1b).

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].

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.

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.