Monday, 30 July 2007

More developments towards

So, I have very much simplified the way that lattices and so on are handled, and the way that pointless is used. Now that I have a clear idea of what I am doing (which will hopefully be published in the fullness of time) the procedures are much more straightforward, which should greatly improve the reliability of the system.

Thursday, 26 July 2007

Developments towards

The following features are pencilled in for xia2 -

- Better XDS support
- More careful elimination of autoindex solutions
- Inclusion of a reference reflection file (must be MTZ, containing I's)

The latter is to use for setting standard indexing, spacegroup (if pointgroup is compatible) and FreeR flags. Useful when you want to refine an existing data set against newly processed data.

More information on progress and details will be posted here.