From rotation images to a merged MTZ
Spot finding, indexing, 3-D profile-fitting integration, point- and space-group determination and Aimless-style scaling, computed on your GPU. Reads Eiger HDF5/NeXus (bitshuffle-LZ4) and Pilatus CBF, also inside .tar, .tar.bz2, .bz2 or .zip.
Demo data: a simulated Eiger2 1M sweep (450 × 0.2°). Load your own images on the right to process a real data set.
Load images first. Find spots & index shows the lattice and possible space groups; Run all continues from there (it re-uses spots and indexing already done).
Image viewer
No images loadedScroll or pinch to zoom, drag to pan. Square marks are predicted reflections, circles are spots found on this image.
Indexing — lattice and possible space groups
Probability combines the metric fit, the refined positional rmsd and a preference for the higher symmetry when both fit equally. Click a row to use another lattice for integration.
Space group from the intensities
Laue group from correlations between symmetry-related intensities; screw axes from systematic absences of axial reflections. Click a row to scale in another space group.
Table 1
Green: good; yellow: acceptable; red: poor. Outer-shell values are in the last column.
The .zip holds the merged MTZ (IMEAN, I±, French–Wilson F, F±, FreeR_flag), the processing log and Table 1. Open it directly in Sextant MR.
Data pathologies
twinning · tNCS · ice · damage · anisotropyStatistics by resolution and rotation
Log
Load images to begin.