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Analysis Workflow

To streamline the data analysis process, EasyDiffraction follows a structured workflow divided into five key steps:

flowchart LR
    a(Project)
    b(Model)
    c(Experiment)
    d(Analysis)
    e(Summary)
    a --> b
    b --> c
    c --> d
    d --> e
  • Project – Establish a project as a container for sample model and experiment parameters, measured and calculated data, analysis settings and results.
  • Sample Model – Load an existing crystallographic model in CIF format or define a new one from scratch.
  • Experiment – Import experimental diffraction data and configure instrumental and other relevant parameters.
  • Analysis – Calculate the diffraction pattern and optimize the structural model by refining its parameters to match experimental measurements.
  • Summary – Generate a report summarizing the results of the analysis, including refined parameters.

Each step is described in detail in its respective section, guiding users through the entire diffraction data analysis workflow in EasyDiffraction.