Approximate lattice similarity
Larry C. Andrews, Herbert Jacob Bernstein · Acta Crystallographica Section A Foundations and Advances · 2021
A common problem is the accumulation of a list of unit cells in differing presentations.For instance, some may primitive, some centered, or some not reduced, even though they are all measured from the same crystal form.The data below is Protein Data Bank data close to phospholipase A2 as examined by [Le Trong and Stenkamp, 2007].In the tables, after the first table (which is the original data) in each table the unit cells are adjusted to be as similar as possible to the cell in the first line.