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v1.1.0✓ Zero dependencies✓ SNIP iterative baseline✓ Double-Gaussian LM deconvolution✓ Ordering formula
1Import XRD data
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Supports .xy .xye .csv .txt .dat .asc .ras .json and generic two-column text
2Pattern preview & peak-region selection
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3PtCo L1₀ alloy ordering
Two definitions: the original four-peak normalized area ratio remains available as an empirical relative ordering index, R = [A110/(A111+A200+A002)] / [I110/(I111+I200+I002)]. It is not automatically a chemical long-range order parameter. The optional calibrated mode reports S = √R, only after you confirm a fully ordered, integrated-intensity reference with matching composition, geometry and corrections. Peak fitting and the empirical numerical result remain available.
Reference integrated intensities / areas
Defaults 20:100:55:45 are demonstration calibration values. Their match to the synthetic demo does not independently establish full ordering. For measured samples, supply a traceable integrated-intensity reference; card peak heights alone are insufficient. Values above the reference are shown without clipping and require review.
Peak integration regions (2θ, °)
Advanced: (200)/(002) overlapping-peak double-Gaussian deconvolution In real PtCo L1₀, (200) and (002) are only ~2° apart and often overlap; single-region integration cross-contaminates and underestimates the weaker peak. When the option below is checked, the two peaks are fit in the combined region by SNIP baseline subtraction + double-Gaussian Levenberg–Marquardt simultaneous least squares, and the deconvolved areas replace the (200)/(002) single-region integrals.