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Workflow steps

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 data, settings, and analysis results.
  • Model - Load an existing crystallographic model in CIF format or define a new one from scratch.
  • Experiment - Import experimental diffraction data and configure instrumental parameters.
  • Analysis - Calculate the diffraction pattern and optimize the structural model by refining parameters to match experimental measurements.
  • Summary - Generate a detailed report summarizing the results of the analysis, including refined parameters and visualizations.

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