Or as tensor, see classic: ANISOTROPIC SCALING OF 3-DIMENSIONAL INTENSITY DATA Author(s): SHAKKED, Z (SHAKKED, Z) Source: ACTA CRYSTALLOGRAPHICA SECTION A Volume: 39 Issue: MAY Pages: 278-279 DOI: 10.1107/S0108767383000665 Published: 1983
I guess this or similar is implemented in shelxl. Look also in : J. F. Nye Physical Properties of Crystals: Their Representation by Tensors and Matrices Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407 Cellular: 0547 459 608 On Apr 9, 2012, at 21:02 , Pavel Afonine wrote: > Hi Alex, > > It is not clear to me how to report the resolution of data when it is 3A in > one direction, 3.5A in another and 5A in the third. > > can't be easier I guess: just switch from characterizing data sets with one > single number (which is suboptimal, at least, as Phil pointed out earlier) > and show statistics by resolution instead. For example, R-factors, data > completeness, <Fobs> shown in resolution bins are obviously much more > informative metrics then a single number. > > If you want to be even more sophisticated, you can. See for example: > > A program to analyze the distributions of unmeasured reflections > J. Appl. Cryst. (2011). 44, 865-872 > L. Urzhumtseva and A. Urzhumtsev > > Pavel
