Enter every atom in the full unit-cell basis. No symmetry expansion is applied.
Format: Element x y z [B=value] [fp=value] [fpp=value]. Charged labels such as Fe3+ are accepted. Neutral-atom form factors are available for H through U.
Sets the single-crystal orientation, or the preferred crystallite alignment for textured powder. Disabled for ideal powder scans.
This calculation updates on demand.
