Reproducing the FeS2 Example from the Demeter Tutorials
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https://zenodo.org/record/13987510
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资源简介：
These files are provided to complement the learning materials for managing RO-Crates in Galaxy.
The files included are:
A crystal structure file for performing a feff fit (1564889.cif).
A XAS spectra file to process and analyse (fes2_rt01_mar02.xmu).
A Galaxy workflow file to perform the process and analysis (Galaxy-Workflow-FeS2_Analysis.ga)
A Galaxy RO-Crate file which can be restored to see the processing and analysis directly.
The workflow and RO-Crate reproduce the EXAFS fitting example for athena and artemis as described by Bruce Ravel. Instead of using the FeS2.inp file in the original example, the workflow uses a crystal structure file (1564889.cif) from the Crystallography Open Database (COD).
创建时间：
2024-11-04
