Huw Jenkins

> I think this could be used in combination with .type = choice(multi=True) in the command line options to remove the need to check user input in export_shelx.py but I'm...

I just pushed an update to use the regex suggested by @benjaminhwilliams - I think as long as `dials.export` recognises `composition` like: `'C11 H10 N O'`, `'C52 H43 B1 F24...

> (ignoring the fact that there is no point in running cosym in this instance) I think this is part of the (wider) issue though. Your input datasets are indexed...

I can't get `dials.symmetry` (`DIALS 3.dev.916-g78d37f498)` to work with your data. **Edit** moved this to new issue #2355

The reindexing operators reported by `dials.cosym` are not correct. For your data if I run: ``` $ dials.cosym debug/*.{expt,refl} space_group=P1 lattice_symmetry_max_delta=1 ... Reindexing operators: x,y,z: [0, 1, 2, 3, 4,...