XRD Pattern Analysis
Overview
MatPilot provides a complete pipeline for analyzing powder X-ray diffraction patterns. The automated workflow processes raw detector data through background subtraction, Kα2 radiation stripping, and noise reduction to produce clean diffraction patterns ready for peak detection and phase identification.
Scientific Background
X-ray diffraction (XRD) is the primary technique for characterizing crystalline materials. When a monochromatic X-ray beam strikes a polycrystalline sample, the diffracted intensity as a function of 2θ angle reveals the crystal structure through Bragg's Law: nλ = 2d·sin(θ). The measured pattern contains contributions from the sample's crystal structure, instrumental broadening, and experimental noise that must be separated for accurate analysis.
Workflow
Upload your XRD data file (XRDML, RAW, XY, CSV, or other formats)
Automatic format detection and parsing extracts 2θ and intensity arrays
Background correction removes the diffuse scattering component using iterative polynomial fitting
Kα2 stripping eliminates the Kα2 wavelength contribution using the Rachinger algorithm
Noise reduction smooths the pattern while preserving peak shapes using Savitzky-Golay filtering
Peak detection identifies Bragg peaks using second-derivative methods with adaptive thresholds