| A colleague of mine is using the program
Mercury (http://www.ccdc.cam.ac.uk/products/csd_system/mercury/downloads/) to define
some planes in her crystal structure, and while it is doing what she wants, it
is not reporting an error/sum of residuals (or any other uncertainty). I
know it is a long shot with this crowd, but does anyone have any experience with
this? Either a way to extract this information from the program, or
another program that would allow us to define planes including some atom
selections, and give residuals would be most appreciated. Cheers, Mike -- C. Michael McCallum http://www.pacific.edu/college/chemistry/McCallum/cmccallum.html Associate Professor Department of Chemistry, UOP mmccallum .at. pacific .dot. edu (209) 946-2636 v / (209) 946-2607 fax |