7/16/2020: spectra.tools/XSIM Has been converted to a container as a service which has allowed creation of two new tools. The X-ray simulation input file generator. And the DFT to PVDOS generator for DFT simulations of NRVS spectra.
6/25/2020: spectra.tools/XSIM has now facilitated 20 publications!
6/19/2020: The NRVS PVDOS tool now supports NRVS data from SPring-8, PETRA-III, ESRF, and APS.
As of 2/3/2019 spectra.tools has been migrated to the United States Department of Energy (DOE) servers at NERSC. The change will improve performance of all tools and make the website more secure. These changes are part of the DOE NERSC project XSIM: "Computational simulations of advanced X-ray spectroscopy on biological metallocofactors".
This web application is designed to serve as a repository for useful code and be and a collection of spectroscopy tools directly online that rapidly analyze spectra from multiple spectroscopic techniques in a cross-platform, user-friendly manner. The website is constantly under development and welcomes any feedback or input.