Re: [ccp4bb] Rietveld refinement of polycrystalline electron diffraction data

2020-11-12 Thread Kamil Krawczyk
Hi Dimitris, First, thank you kindly for your wonderful reply - there is a lot of great information to parse through! I will have a look through GSAS and the provided mailing list as well. To quickly add context, here are two images refined to my static structure (compared with experimental

Re: [ccp4bb] Rietveld refinement of polycrystalline electron diffraction data

2020-11-12 Thread Tim Gruene
Dear Paulina, you can find plenty of names of experts on electron powder diffraction at this announcement of the ePDF workshop, https://www.uni-ulm.de/einrichtungen/hrem/epdf/epdf/, organised by Tatiana Gorelik. They can probably answer your question Best regards, Tim On Thu, 12 Nov 2020

Re: [ccp4bb] Rietveld refinement of polycrystalline electron diffraction data

2020-11-11 Thread Paulina Dominiak
Dear Kamil and Dimitris, I wonder what kind of scattering factors are mentioned below programs using for Rietfveld refinement? Are these from IT for electron scattering? Best, Paulina W dniu 12.11.2020 o 07:35, Dimitris Triandafillidis pisze: Dear Kamil, Since you have an initial model

Re: [ccp4bb] Rietveld refinement of polycrystalline electron diffraction data

2020-11-11 Thread Dimitris Triandafillidis
Dear Kamil, Since you have an initial model that is presumably close to what you expect to find in your sample, then Rietveld refinement is the right choice. In cases where no initial model is available, other types of refinement are suitable, such as Pawley or Le Bail, which refine lattice and

[ccp4bb] Rietveld refinement of polycrystalline electron diffraction data

2020-11-11 Thread Kamil Krawczyk
Hello! First, apologies if the scope of the question is beyond that of the listserv - I was recommended this discussion page through a colleague. I am incredibly new to refinement, and have been trying to employ the use of Rietveld refinement to better determine the crystal structure of my