Laue analysis
Index x-ray and neutron Laue patterns from area-detector images. Import crystal parameters from a CIF or manual entry, load detector images (PNG, NorthStar .hs2, or NeXus/HDF5), overlay predicted reflections, auto-detect peaks, and refine orientation.
Disclaimer: These tools are experimental and may still have bugs/errors. If you spot one, please tell me!
1. Crystal parameters
Laboratory frame: x primary beam, y horizontal, z vertical. At zero sample Euler angles (Ω, χ, Φ), the crystallographic a axis lies on +x, b in the xy-plane, and c completes a right-handed system.
2. Laue image
Upload a standard image, paste from the clipboard (⌘/Ctrl+V),
or load a NorthStar .hs2 or NeXus/HDF5 file (.nxs, .h5, .hdf5, .nexus).
With no image loaded, the simulated pattern is drawn on a blank detector.
Intensity curve
Drag control points; click to add; right-click to remove. Two points form a line; additional points use smooth splines. End segments extend linearly.
Fix datafile convention on load
Apply when the raw array is stored in a different row/column order.
Data corrections
Radial normalization divides each pixel by the azimuthal mean at its distance from the beam center (linear interpolation between bins). The intensity scale is re-scaled automatically when this correction is enabled.
3. Instrument
4. Sample orientation
Predicted peak overlay
5. Peak detection & matching
Detected peak overlay
6. Orientation refinement
Local fit from the current approximate orientation. Add or auto-detect well-separated spots and check their index labels first. Index assignments stay fixed during the fit. Start with sample angles; add detector parameters only when enough spots constrain them.
Residuals larger than the tolerance receive less weight. This helps with isolated bad matches; it does not replace correct indexing. Reported RMS is the 2D distance between observed and predicted spots.
Ideal orientation calculator
Enter the reciprocal direction (HKL) placed along the direct beam (lab +x), and a nonparallel peak that should lie in the same horizontal scattering plane as the beam (lab x–y, with vertical component z = 0). The two HKLs need not be perpendicular. Either horizontal side is accepted; the smaller correction is reported. These lab axes are independent of detector tilt and image flips.
Predicted reflections
| hkl | |G| | x | y |
|---|