Huw Jenkins

Also be aware that some of the electron scattering factors in `source_sfac_electron` in `edtools` are all 0 for some elements. These apparently came from SIR2014 which had X-ray scattering factors...

> I note also that shelxle can write ED SFAC lines, using the Peng data. :rofl: when was that added? - I wrote a script to reformat the coefficients from...

I have done a bit of testing. `SHELXT` works perfectly with the following input: ``` SFAC C H B N O F P Mn UNIT 0 ``` However an `.ins`...

I can do it - should this go into `util/export_shelx.py` as `_parse_compound()` or something or is there a better place to add it to DIALS?

> Will CTFFIND4 remain available, or will they replace CTFFIND4 with CTFFIND5? I don't know. AFAICT currently the only source of a CTFFIND5 binary is pulling it out of a...

Yes sure. It's pretty clear from the RELION GUI that the support is for CTFFIND4 and that the new version is CTFFIND5. If it becomes clear that CTFFIND5 is easily...

`EXCLUDE_DATA_RANGE` in XDS can be used to *completely* remove images from processing. What happens if you import these data as wedges excluding the crystal tracking frames? In the case of...

> A problem with splitting the scan at the calibration images is that I then end up with sub scans that have too few reflections for profile modelling. I hadn't...

That's interesting _but_ the SMV files in that dataset are not the raw data - the frames for when the crystal tracking images were taken are not images of the...

> I wish I knew what XDS's EXCLUDE_DATA_RANGE actually did I tested with the second dataset using the `XDS.INP` in `Data_2.zip`. I set the `JOB=` parameters in `XDS.INP` as follows:...