Data processing software suite SITENNO for coherent X-ray diffraction imaging using the X-ray free-electron laser...

Area of Science:

• Materials Science
• Crystallography
• Photon Science

Background:

• Coherent X-ray diffraction imaging (CXDI) is crucial for visualizing non-crystalline particles.
• Advancements in X-ray free-electron laser (XFEL) sources facilitate `diffraction before destruction' experiments.
• High-throughput data acquisition necessitates efficient processing methods.

Purpose of the Study:

• To introduce the SITENNO software suite for semi-automated processing of CXDI data.
• To detail the algorithms employed within the SITENNO suite.
• To evaluate the performance of SITENNO using experimental data from copper oxide particles.

Main Methods:

• Utilized SPring-8 Angstrom Compact free-electron LAser (SACLA) with KOTOBUKI-1 apparatus and multiport CCD detectors.
• Collected thousands of single-shot diffraction patterns within hours.
• Developed and applied the SITENNO software suite for data processing, including pattern selection, direct-beam determination, detector merging, and phase retrieval.

Main Results:

• SITENNO successfully processed approximately 9000 diffraction patterns from cuboid copper oxide particles.
• The software suite enables immediate data processing post-collection.
• Characterized particle size distribution and internal structures of non-crystalline copper oxide particles.

Conclusions:

• The SITENNO software suite significantly enhances the efficiency of CXDI data analysis.
• Real-time processing capabilities allow for rapid structural characterization of nanomaterials.
• This approach advances the application of CXDI for studying micro- and sub-micrometer non-crystalline structures.