Ab-initio phasing using nanocrystal shape transforms with incomplete unit cells

Liu, H.; Zatsepin, N.A.; Spence, J.C.H.

doi:10.1107/S2052252513025530

Figure 10
Crystal shape variations do not reduce the recovered molecular transform qualities. The fraction of boundary that is covered by partial unit cell is the determining factor for the recovered unit-cell patterns. The fractions are 0.2, 0.5, 0.8 for (a), (b), (c), correspondingly. The numbers shown in the lower right corners are the R factors compared with the theoretical unit-cell transform, relative to the default unit cell; and the values in parentheses are the R factors compared with the alternative unit-cell transform (see Fig. 2