This is a personal unofficial repository of CrystFEL for processing serial crystallography dataset. The official CrystFEL website is http://www.desy.de/~twhite/crystfel/ and the repository is https://stash.desy.de/projects/CRYS/repos/crystfel/browse.
As of 2016, most features have been merged to the official repository, except for hdfsee improvements. Thus, I do not update this repository very often.
I am testing various ideas on this repository. Some are not stable yet and NOT recommended for production work. Use at your own risk!
This is personal "master" branch where developments take place. "master" branch tracks the official repository. hdfsee and multiple-lattice branches have been merged here.
- More updates in the stream viewer (hdfsee)
- Resizable columns
- Sortable rows
- Support multi-event HDF files
Highly premature, experimental codes. Do NOT use this branch!
- get_rms
calculate RMS between observed spot positions and predicted positions. - export_to_pickle
convert a stream file to pickle files cctbx.xfel can read.
very buggy, not working well. - dump_unmerged
dump unmerged (but indices converted to be in the ASU) intensities from a stream file for statistical inspection.
Should be stable enough for general use. Merged to multievent branch.
- Load stream file directly into hdfsee
- Show spots and (multiple) lattices simultaneously
- Show resolution and Miller index to the status bar by clicking
- Scrollbar in hdfsee -> merged to the official distribution
- Export to ADSC format. -> merged to the official distribution
This is useful for manual inspection of indexing in iMOSFLM. Since the original pixel doesn't have one-to-one correspondence in the output image, this is not perfectly accurate.
This feature has been merged into the multievent branch. Seems stable but please carefully examine if it improves the result.
- Multiple lattice indexing by calling external indexer(s) many times.
- Sending prior-cell information to MOSFLM.
Prior-cell algorithm will be available in the next version of MOSFLM. - Hitrate calculator based on Poisson distribution in doc/hitrate.html
All features have been merged to the official distirubtion. Thus this branch was deleted.
- Calculate CC between reference and each frame
- Frame rejection based on CC
- Output CC and scale factor from process_hkl to be plotted in R