Re: [Ifeffit] Multiple data set fit limit

2017-03-24 Thread Victor Streltsov
Bruce, Thank you for your reply and suggestions. 1. In regard to the suggestion 1, my real problem (refinement) has 3 data sets and the model is rather complex with 55 paths. For some reasons, Artemis (when project generated under Windows and is opened under Linux) remembers previous 3 data

Re: [Ifeffit] Multiple data set fit limit

2017-03-24 Thread Bruce Ravel
Victor, I now believe that you are seeing the problem you claim to be seeing, but it's going to take a lot of work for me to understand how you got there. When I import the Artemis project files you sent, I see that you have 24 copies of the FeS2 data in the project and you seem to be

Re: [Ifeffit] Conflicting FEFF calculation

2017-03-24 Thread Bruce Ravel
On 03/21/2017 09:10 AM, Ashis Biswas wrote: I have a problem of conflicting FEFF calculation for tris(acetate-O)arsenic [As(OCOCH3)3] (TAA) and tris(phenyl thio)arsenic [As(SC6H5)3] (TPA); respective cif and atom input files are attached. In Artemis, when I import TAA after TPA, the paths