Faster reflection prediction
CrystFEL is currently using a naive brute force algorithm, looping over all reflections to determine which ones are excited. There are at least two better algorithms available:
- Region growing algorithm from Wolfgang Brehm. See this paper (appendix B). Preliminary work on branch region-growing.
- Quadratic limits algorithm from G. N. Reeke. Mentioned in this paper (end of section 9.2) which references a paper in one of the old LURE reports (difficult to find, but Tom has the PDF).
Slow prediction motivated the addition of --cell-parameters-only
in 46baa4da. For online cell monitoring, no prediction is obviously the fastest possible solution. Nevertheless, there's a big speed improvement to be made here.