Workflows

Example workflow

An example workflow can be found on the repository.

It implements the task graph depicted below.

Typical 3DXRD workflow

        flowchart TD
    Raw[(Raw 3DXRD Data)]
    Seg[Peak Segmentation]
    Corr[Detector Correction]
    Geo[Geometry Transformation]
    Index[Grain Indexing]
    Result[[UBI Matrices / Grain Map]]

    subgraph Calibration [Instrument Calibration]
        direction LR
        SCR[Single Crystal Ref] --> CalSeg[Segmentation]
        CalSeg --> Fit[Geometry Fit]
        Fit --> GeoParams([Calibrated Parameters])
    end

    Raw --> Seg
    Seg --> Corr
    Corr --> Geo
    
    GeoParams -.->|Apply Physics| Geo

    subgraph FilterGroup [Data Filtering & Cleaning]
        direction TB
        Geo --> L[Lattice/Phase Filter]
        L --> SI[Intensity Filter]
        SI --> HKL[HKL Ring Filter]
    end

    HKL --> Index
    Index --> Result

    %% Styling for Clarity
    style Raw fill:#f9f,stroke:#333,stroke-width:2px
    style Result fill:#bbf,stroke:#333,stroke-width:2px
    style GeoParams fill:#fff4dd,stroke:#d4a017,stroke-dasharray: 5 5
    style Calibration fill:#f0f0f0,stroke:#666,stroke-style:italic
    style FilterGroup fill:#e1f5fe,stroke:#01579b