XRD Refinement Service

XRD refinement and quantitative analysis

Rietveld, Le Bail, Pawley, full-pattern fitting, phase quantification, single-peak or multi-peak fitting, lattice and structure parameters, CIF preparation and professional analysis reports.

GSAS-II style fitting plots Rwp / Rp / GOF review Peak fitting and FWHM CIF / tables / report
Example XRD quantitative fitting plot
Observed, calculated, background and difference curves Final delivery plot
Services

Select by analysis goal

01

Phase Quantification

Multi-phase Rietveld refinement, crystalline phase weight fractions, internal-standard amorphous content and series sample comparison.

from US$30/sample Select quantity
Weight fraction Internal standard Series comparison
02

Structure Refinement

Lattice parameters, atomic coordinates, occupancy, B factors, bond lengths, bond angles, coordination geometry and CIF preparation.

tiered options View options
Unit cell Bond and angle CIF
03

Special XRD Analysis

Peak shape, FWHM, crystallite size, microstrain, preferred orientation, defects, in-situ or variable-temperature XRD and batch refinement.

custom quote Project scope
FWHM In-situ / VT Defects / texture
Scope

XRD refinement coverage from quantification to structure parameters

The final route depends on data quality, available structure models and the research question. Scope, price and estimated delivery time are confirmed before work starts.

Phase quantificationMulti-phase Rietveld refinement, crystalline phase mass fraction, internal-standard amorphous content and series trends.
Lattice refinementCell parameters, cell volume, axis ratios, d-spacing and lattice expansion or contraction.
Crystal structure refinementAtomic coordinates, occupancy, displacement parameters, bond lengths, bond angles, coordination and polyhedral distortion.
Peak shape and microstructureFWHM, crystallite size, microstrain, size-strain separation, anisotropic broadening and instrument correction.
Doping and solid solutionCell change, dopant site discussion, cation distribution, structural ordering and Vegard-type trend analysis.
Texture and defectsPreferred orientation, March-Dollase refinement, orientation coefficient, dislocation density, stacking faults and twins where supported.
Special full-pattern workPawley refinement, Le Bail refinement, variable-temperature XRD, in-situ XRD and battery charge-discharge series.
Typical materialsAlloys, ceramics, cement, minerals, slags, battery materials, catalysts, perovskites, spinels, MOFs and thin films.
Pricing

Quick budget estimate

Phase Quantification

One sample is US$30. Each additional sample adds US$30. Suitable for multi-phase quantification, series comparison and composition tables.

Structure refinement options

Select any one structure option for US$50. Each additional option adds US$10. CIF preparation and professional reporting are included with structure-refinement delivery when applicable.

Workflow

From project brief to delivery package

1

Submit Brief

Send the analysis goal, XRD data, CIF files, sample notes or references.

2

Confirm Scope

We confirm deliverables, price and estimated turnaround based on your data and goal.

3

Run Analysis

After payment confirmation, the project enters fitting, quantification, structure work or report preparation.

4

Deliver Results

Receive fitting plots, tables, CIF files, peak data or professional analysis reports according to scope.

Cases

Final delivery plots from completed work

The examples represent three common project types: phase quantification, structure refinement and single-phase or structure confirmation.

Multi-phase quantitative fitting plot
Quantification

Multi-phase sample quantification

Estimate major crystalline phase fractions and compare composition changes across samples or treatment conditions.

Structure refinement fitting plot
Structure Refinement

Alloy composite structure analysis

Analyze peak position, unit-cell and profile changes to support discussion of lattice parameters, size, strain or phase matching.

Single phase structure confirmation plot
Structure Confirmation

Single-phase structure confirmation

Check whether the target structure is consistent with the experimental pattern and summarize peak matching and lattice change.

Why choose us

XRD results prepared for papers, reports and research discussion

We organize data processing, fitting quality, parameter tables and interpretation around the customer's research goal, not only around raw software output.

01

Professional tools with human review

GSAS-II, structure-visualization and data-processing tools are used where appropriate, with manual checks on background, peak positions, indicators and file consistency.

02

Transparent pricing and clear scope

Routine quantification is priced by sample count. Structure work uses simple selectable options. Complex projects are quoted after checking feasibility and deliverables.

03

Professional analysis report included

Deliverables can include not only fitting plots and tables, but also explanation of phase content, lattice change, structural parameters, peak shifts, bond lengths or angles.

04

Confidential data and revision support

Customer data, CIF files and sample information are not public. Case examples are anonymized, and agreed revisions are supported after delivery.

Deliverables

Files ready for research use

Delivery depends on the project goal and may include publication-ready figures, tables, structure files and written analysis.

Fitting plot PNG/PDF
CIF structure file
CSV or parameter table
Professional analysis report
Submit Project

Submit data and confirm payment

Select a service type and send your project details. We will reply with the next step by email.

Routine phase quantification is paid after the sample count and file package are confirmed. Structure refinement and special XRD projects are quoted after scope review.
Payment method PayPal Invoice or PayPal payment link is sent after submission or quote confirmation.
Phase Quantification Submit data first. We confirm the sample count and send a PayPal Invoice or payment link.
Order Status / Download

Use your order ID to check progress

After submission, an order ID is issued by email. Completed orders receive secure delivery links for the package, plots, tables, CIF or report.

Enter order ID to check progress

Lookup shows current status, estimated delivery time and available delivery links when the order is complete.

Delivery package ZIP Fitting plot PNG/PDF CIF / table / report
Common questions

Q&A

What files should I submit?

Please provide raw XRD data first. Common formats include .xy, .xye, .txt, .csv, .raw, .ras, .uxd, .brml and .xrdml. CIF files, composition, sample treatment, references and research questions are also helpful.

How long does delivery take?

Routine quantification is usually faster. Complex structures, batch data or report-heavy projects are scheduled after the scope is confirmed.

What is needed for quantitative analysis?

Reliable structure information, standards or an internal standard improve stability. Data quality, peak overlap and sample information are reviewed before the route is confirmed.

What can structure refinement deliver?

Depending on scope, delivery may include fitting plots, refined parameters, CIF files, bond length or angle tables, pore or coordination discussion and a written report.

Is my data confidential?

Raw data, CIF files, sample details and delivery files are kept private by default. Public case examples are anonymized and customer identity is not shown without permission.

Can results be revised?

Agreed revisions are supported after delivery, such as figure format, report wording, additional tables or emphasis on specific discussion points.

Contact

For complex projects, send the goal first

Suitable for MOF structure change, in-situ or variable-temperature XRD, batch series, special peak-shape work or report-focused projects.

Emailz17538239193@gmail.com
Project filesRaw XRD data, CIF, sample notes, treatment conditions and analysis goal.
Delivery styleFitting plots, parameter tables, CIF, data tables and professional analysis report by project scope.