International
Tables for
Crystallography
Volume B
Reciprocal space
Edited by U. Shmueli

International Tables for Crystallography (2006). Vol. B. ch. 2.1, p. 199   | 1 | 2 |

Figure 2.1.7.1 

U. Shmuelia* and A. J. C. Wilsonb

aSchool of Chemistry, Tel Aviv University, Tel Aviv 69 978, Israel, and bSt John's College, Cambridge, England
Correspondence e-mail:  ushmueli@post.tau.ac.il

[Figure 2.1.7.1]
Figure 2.1.7.1

Atomic heterogeneity and intensity statistics. The histogram appearing in (a) and (b) was constructed from [|E|] values which were recalculated from atomic parameters published for the centrosymmetric structure of C6H18Cl2N4O4Pt (Faggiani et al., 1980[link]). The space group of the crystal is [P\bar{1}], [Z=2], i.e. all the atoms are located in general positions. (a) A comparison of the recalculated distribution of [|E|] with the ideal centric [equation (2.1.5.11)[link]] and acentric [equation (2.1.5.8)[link]] p.d.f.'s, denoted by [\bar{1}] and 1, respectively. (b) The same recalculated histogram along with the centric correction-factor p.d.f. [equation (2.1.7.5)[link]], truncated after two, three, four and five terms (dashed lines), and with that accurately computed for the correct space-group Fourier p.d.f. [equations (2.1.8.5)[link] and (2.1.8.22)[link]] (solid line).