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Explore 3-D scattering volumes

Neutron or X-ray: open a Mantid MDHistoWorkspace, a NEBULA3D volume or any 3-D NeXus/HDF5 histogram.

Or drop a file anywhere. Files are read in your browser, never uploaded.

© 2026 Tsung-Han YangAGPLv3About & documentation

Reduce Rigaku XRD frames

Choose a CrysAlisPro experiment folder: the frames/*.rod_img with the .par and expinfo/*_crystal.ini. It is reduced in this tab; nothing is uploaded.

What the reduction does

The frames are decoded, a detector mask is built, Bragg peaks are found and the geometry is refined against them, and every pixel is mapped into an HKL grid, on all CPU cores. About 40 s for 3,600 frames on an 8-core laptop. Method

Reindex with a new UB

New indices H′ = T·H with T = UBnew⁻¹·UBold. A is resampled as measured: mask and symmetrize the result. Method

Refine the UB against the Bragg peaks

The Bragg peaks of A, as measured, are indexed with its UB, and an orientation and a cell, constrained to a crystal system, are fitted to their positions in Q. Refine a volume that is not symmetrized: averaging with a wrong UB splits the peaks. Method

Peak search