1. Which structure factor amplitude is used in refinement when the labels in the .def file are the following?
labels = "F-obs(+),SIGF-obs(+),F-obs(-),SIGF-obs(-)"
2. Is anomalous data used in the refinement when the labels are as follows?
labels = "F,SIGF,DANO,SIGDANO,ISYM"
I ask these questions because I am wondering which structure factor amplitudes to deposit, and I am trying to rationalize differences between R-factors from refinement and Generate Table 1.
Thanks.
Jack Tanner
John J. Tanner
Professor of Biochemistry and Chemistry