RESEARCH SOFTWAREv23.0.0

Afruz PXRD Analyzer

A pattern. A structure.
A clearer picture.

From powder diffraction to crystallographic insight: a scientific workbench for preparation, refinement, validation, and three-dimensional structure visualization.

Get the software ↗Explore the workflow ↓

Developed by Ali Afruz and Maryam Kaffash Jamshid

“Cite this softwareVERSION DOI · 10.5281/zenodo.23119993↓

CRYSTALLOGRAPHYLIVE STUDY

Crystal lattice + diffractionILLUSTRATIVE MODEL

Lattice spacing50%

The idea Capabilities Workflow Citation GitHub ↗

01 / THE IDEA

Built around the question.

Follow a specimen from its raw pattern through background preparation, peak analysis, phase matching, and whole-pattern refinement. Keep the structure, residuals, and scientific provenance in the same workspace.

01 ✦

Understand the pattern

Import text patterns, XRDML, binary V3 RD scans, and CIF structures. Prepare backgrounds, fit peaks, and compare calculated reference patterns.

02 ✦

Refine with context

Explore Pawley, Le Bail, and native Rietveld workflows, unit-cell refinement, quantitative phase analysis, and optional GSAS-II integration.

03 ✦

See the crystal

Create crystallographic views and figure exports alongside validation campaigns, batch recipes, and reproducible report packages.

02 / THE WORKFLOWFROM OBSERVATION TO INTERPRETATION

A little structure.
More room to explore.

01Import & inspect
02Prepare & identify
03Refine & validate
04Visualize & report

Some engines are explicitly experimental. Review model assumptions, residuals, uncertainty, and chemical plausibility before reporting a result.

Read the documentation ↗

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RESEARCH BUILDS ON CREDIT

Used it? Cite it.

If Afruz PXRD Analyzer contributes to your research, please cite the exact software version you used. This DOI identifies the archived v23.0.0 release.