cctbx.sgtbx.symbol_confidence module

cctbx.sgtbx.symbol_confidence.level(space_group_info)

Determine the level of confidence in a given space group symbol. Often data are scaled and merged in a space group that is different from the crystal space group. For example, if the crystal space group is P212121 the data are sometimes processed in space group P222. Therefore this function returns 0 for these two symbols. For some space groups this kind of ambiguity is not possible, e.g. space group P1. The corresponding return value is 2. Some symbols could be ambiguous, but are typically not used as “default” symbols by data processing programs, e.g. P3212. It is therefore more likely that these symbols are chosen on purpose. The corresponding return value is 1. This function returns None for all non-chiral space groups. The return value for chiral space groups with unusual symbols is -1.