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 fitting plots Rwp / Rp / GOF review Peak fitting and FWHM CIF / tables / report
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

Regular structure-parameter work: cell parameters, atomic positions, displacement parameters, bond/angle coordination and structure comparison.

tiered options View options
Cell Atoms Comparison
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 Peak fitting Batch XRD
Pricing

Quick budget estimate

Prices are listed in USD. PayPal may show the final amount in the customer's local currency.

Phase Quantification

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

Sample count means the number of XRD patterns or samples to be quantified, not the number of uploaded files.

Structure refinement options

Select any regular structure item for US$50. Each additional regular item adds US$10. Structure comparison is US$100 and caps the estimate when selected.

Combined estimate

Selected: phase quantification, 1 sample

Use this when one project includes quantification plus structure items. Special XRD is still confirmed after data review.
US$30
Scope

Custom XRD analysis scope

These projects are reviewed case by case because workload and technical risk depend strongly on data quality, peak overlap, phase information and the research goal.

Peak / FWHM analysisPeak shape, half-width, crystallite size, microstrain and size-strain trend analysis.
Peak fittingSingle-peak or multi-peak fitting for overlapped peaks, peak position, area and broadening.
Texture / defect analysisPreferred orientation, texture, dislocation or defect-related indicators when supported by the data.
In-situ or batch XRDVariable-temperature, in-situ, charge-discharge, treatment-series or batch pattern comparison.
Complex phase screeningCandidate phase comparison, impurity checking and complex phase screening when the phase list is uncertain.
Structure-change projectsMOF activation, intercalation, desolvation or before/after treatment structure-change projects.
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

Professional XRD results without unclear back-and-forth

The service is built for researchers who need usable fitting plots, tables, CIF files or reports without spending days coordinating tools, file formats, pricing and revisions.

PayPal payment record
Clear scope before work
Real anonymized case plots
Revision support
01

Professional tools with expert review

GSAS-II and established XRD/refinement workflows are used where appropriate, with manual checks on background, peak positions, residuals, indicators and file consistency.

02

Clear pricing and project scope

Routine quantification is priced by sample count. Structure work uses selectable options, while complex projects confirm feasibility, deliverables, turnaround and revision scope before payment.

03

Report explains the selected route

When included in the confirmed scope, the report explains the analysis route, assumptions, fitting result and how the delivered plots, tables or structure parameters should be read.

04

Confidential files and follow-up

Customer data, CIF files and sample details are kept private. Case examples are anonymized, and agreed revisions are supported after delivery.

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.

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. Prices are quoted in USD; PayPal may display the final payment in the customer's local currency.
Service type
Upload data
Accepted: XRD data, CIF, PDF/images, Office files, ZIP/RAR/7Z

Common XRD formats: .xy, .xye, .txt, .csv, .raw, .ras, .xrdml

No files selected yet.

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.

Emailcontact@xrdrefinementlab.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.