Workflow overview#

The package includes four example workflows in src/ewoksscxrd/workflows/.

demo_eiger2cbf.json#

Two-node workflow using Eiger2CBF to export one CBF file per frame from Eiger or LImA HDF5 input, then CreateXDSInp to write XDS.INP next to the exported CBF frames.

demo_eiger2crysalis.json#

Pipeline for direct conversion to CrysAlis outputs. It runs:

  1. Eiger2Crysalis

  2. CreateIniFiles

  3. CreateSetCcdFiles (for .set)

  4. CreateSetCcdFiles (for .ccd)

  5. CreateRunFiles

  6. CreateParFiles

  7. AverageFrames

  8. DataPortal

Typical output artifacts include Esperanto frames, CrysAlis side files, gallery PNG, and EDF average frame.

demo_eiger2crysalis_lima2.json#

Same target outputs as above, but starts with Lima2Thresholding before Eiger2Crysalis.

Lima2Thresholding produces a Lima1-like intermediate file after applying threshold-based subtraction.

demo_tiff_save.json#

Single-node workflow using TiffFiles to export TIFF frames from HDF5 input.

XDS processing#

The bundled demo_eiger2cbf.json workflow includes CreateXDSInp. CreateXDSInp still needs explicit experiment geometry inputs at runtime (detector, nx, ny, qx, qy, data_range, oscillation_range, and the beam/distance/wavelength values). starting_angle is optional and is only written when provided. The generated XDS.INP now follows a fixed layout with deterministic section ordering. See the CreateXDSInp tutorial.