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FRAMEWORKED / TOOL 001 / PXRD ANALYSIS

Scherrer calculator.

Upload an XY or XYE pattern, fit individual reflections, compare patterns, and inspect the variables behind its coherent-domain size estimate.

THE EQUATION
D = Kλβ cos θ
β = FWHM in radians · θ = Bragg angle

Research beta. The calculator estimates coherent-domain length, not particle diameter. Without measured instrumental broadening, results are uncorrected and should be treated as preliminary. Files stay in your browser.

LIVE DIFFRACTOGRAM

Waiting for PXRD data

NO DATA
Select a file or load the example to begin.
⌁Your pattern starts here.

Load an XY file, or try a simulated scan to explore how peak fitting works.

Loaded traces
Accepted selected fit
FWHM
Blue ring: selected · Red ring: review fit · Wheel: zoom
Enter its approximate 2θ position to bypass automatic suggestions. Close or overlapping peaks may need a smaller fitting window or multi-peak analysis.

REFLECTION ANALYSIS

Detected peaks 0

AveragePeak2θ (°)FWHM (° 2θ)Fit R²Domain (nm)
Your fitted peaks will appear here.
Selected reflections: 0Coherent-domain size, not particle diameter
Arithmetic mean— nm
Sample SD—
SEM—

Check two or more reviewed, isolated reflections to calculate an average, sample standard deviation, and standard error. These are not a fully propagated measurement uncertainty.

THE CALCULATION

Scherrer results

Choose a fitted reflection above to inspect its Scherrer calculation. We convert measured FWHM from degrees of 2θ to radians, then apply the equation.

ESTIMATED COHERENT DOMAIN SIZE— nm

No reflection selected

BRAGG ANGLE, θ—
FWHM, β—
WAVELENGTH, λ1.5406 Å
SHAPE FACTOR, K0.90

D = K × λ / (β × cos θ) · width in radians, length in nm.