International
Tables for
Crystallography
Volume F
Crystallography of biological macromolecules
Edited by M. G. Rossmann and E. Arnold

International Tables for Crystallography (2006). Vol. F. ch. 11.5, p. 240   | 1 | 2 |

Section 11.5.7.3. Statistics for rejecting reflections and data quality as a function of frame number

C. G. van Beek,a R. Bolotovskya§ and M. G. Rossmanna*

aDepartment of Biological Sciences, Purdue University, West Lafayette, IN 47907-1392, USA
Correspondence e-mail:  mgr@indiana.bio.purdue.edu

11.5.7.3. Statistics for rejecting reflections and data quality as a function of frame number

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The behaviour of the R factor versus frame number (Fig. 11.5.7.5[link]) is more monotonic when method 1[link] is used compared to method 2[link]. In method 1[link], the data-quality estimates for neighbouring frames are strongly correlated because the full reflections used in the statistics are obtained by summing partials from consecutive frames. By contrast, in method 2[link] every frame produces estimates of full reflection intensities independently of the neighbouring frames. Therefore, the R factors per frame calculated after scaling with method 2[link] truly represent the data quality for individual frames.

[Figure 11.5.7.5]

Figure 11.5.7.5 | top | pdf |

R factor per frame as a function of frame number for a ϕX174 data set (Dokland et al., 1997[link]).








































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