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Rietveld quantitative analysis

XRD quantitative phase analysis

Estimate crystalline phase weight fractions from existing powder XRD patterns, compare composition across sample series, and add internal-standard amorphous analysis when the experiment supports it.

Multi-phase quantificationPhase contributions are fitted across the measured pattern.
Series comparisonConsistent models and tables for treatment or composition groups.
Auditable deliveryFitting plots, phase fractions and refinement indicators.

Suitable project types

01

Known candidate phases

Routine crystalline mixtures with suitable CIF structures and sufficient diffraction quality.

02

Comparative sample series

Track phase-fraction changes with temperature, composition, reaction time, corrosion or other treatment variables.

03

Crystalline plus amorphous

Use a known internal-standard addition to estimate non-crystalline or unmodelled material when sample preparation is documented.

Information needed for a defensible result

Original XRD patternRaw numeric intensity data are preferred over exported images.
Expected chemistryElements, synthesis route, treatment history and known or suspected phases.
Structure modelsCandidate CIF files or references; uncertain phase lists require additional screening.
Internal-standard recordStandard identity, purity, addition fraction, calculation basis and mixing procedure.

Important: standardless Rietveld fractions describe the modelled crystalline phases. Absolute amorphous content requires an appropriate standard strategy or another validated basis.

What you receive

Quantitative result package

Observed/calculated/difference plots, Bragg positions, phase weight fractions, cell parameters and fit indicators for each sample.

Comparison-ready tables

Consistent sample naming, phase-composition tables and editable data suitable for figures, reports or manuscript discussion.

Routine quantification pricing

The listed entry price applies to suitable crystalline mixtures with known candidate phases. Amorphous content, complex screening, severe overlap, poor crystallinity and extensive reporting are quoted after review.

US$30 / sample
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Common questions

Can you quantify a phase that is not included in the model?

No reliable method can quantify an omitted crystalline phase correctly. The phase list and residual peaks are reviewed before final reporting.

How accurate are the reported percentages?

Uncertainty depends on data quality, preferred orientation, microabsorption, structural models, overlap and sample preparation. Results are reported with these limitations in mind.

Can multiple samples be compared directly?

Yes, provided measurement conditions and model choices are sufficiently consistent. Batch projects are organised with common naming, plots and tables.

Upload the sample series for review

Include the expected phases and sample conditions. You will receive a confirmed scope and payment request before analysis starts.

Submit XRD files