Dear all, I am fitting a crystal pyrite structure with Se substitution in one of the sulphur atoms. I am sharing my projects in artemis. In the AMV1 project, all the parameters are sensible except for the large amplitude. I would like to know if that could be the effect of the substitution. In the second project AMV-2, I am finding large E0, which I tried to overcome by aligning the spectra with the theory in Athena. However, the fitting afterwards is worse than without such correction. https://docs.google.com/open?id=0B6dBCadbyZwFS0tDTmdDSXlWVVU (AMV-1) https://docs.google.com/open?id=0B6dBCadbyZwFYlc2c3FKT0YtbXc (AMV-2) Any ideas to help to solve these problems will be very much appreciated. Kind regards, Adriana Dr Adriana Matamoros-Veloza School of Earth and Environment University of Leeds Leeds, LS2 9JT