Re: [ccp4bb] Electron scattering factors for SHELXL

2019-03-04 Thread Pavel Afonine
Hi, > Or, alternatively, if anyone has used a different program to refine small > molecule structures determined by ED, we would be happy to hear about that > program too. > phenix.refine has an option to use electron scattering factors. I can provide further assistance off-list or on phenix

[ccp4bb] Electron scattering factors for SHELXL

2019-03-04 Thread Whitley, Matthew J
Greetings all, We have solved a small molecule structure using electron diffraction and would like to refine the structure with SHELXL. Coming from a macromolecular background, this is our first experience with SHELXL, and we are not exactly sure how to proceed. The first thing to do seems