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Phase Quantification
Multi-phase Rietveld refinement, crystalline phase weight fractions, internal-standard amorphous content and series sample comparison.
from US$30/sample Service details
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
02
Structure Refinement
Regular structure-parameter work: cell parameters, atomic positions, displacement parameters, bond/angle coordination and structure comparison.
tiered options Rietveld service
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
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.
Quantification
Multi-phase sample quantification
Estimate major crystalline phase fractions and compare composition changes across samples or treatment conditions.
View case details
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.
View case details
Structure Confirmation
Single-phase structure confirmation
Check whether the target structure is consistent with the experimental pattern and summarize peak matching and lattice change.
View case detailsWhy 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.
About the analyst
Independent XRD analysis for research datasets
Materials-focused XRD review
Remote post-processing and interpretation ยท No physical measurement service
Analysis is reviewed manually, not returned as an automated match
XRD Refinement Lab supports researchers who already have powder XRD data and need phase identification, Pawley or Le Bail fitting, Rietveld refinement, quantitative phase analysis, lattice or profile interpretation, and report-ready outputs. Representative experience includes cementitious materials, minerals and slags, alloys, ceramic oxides, battery materials and porous crystalline frameworks.
Scope before payment
Data quality, candidate models and requested conclusions are checked before work begins.
Data quality, candidate models and requested conclusions are checked before work begins.
Confidential by default
Customer identity, raw data and structure files are not published without permission.
Customer identity, raw data and structure files are not published without permission.
Method matched to evidence
Parameters that are not supported by the dataset are not presented as uniquely determined results.
Parameters that are not supported by the dataset are not presented as uniquely determined results.
Research-use delivery
Plots, tables, CIF files and written interpretation are prepared according to the confirmed scope.
Plots, tables, CIF files and written interpretation are prepared according to the confirmed scope.
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 prepare a project email. We will review the files and reply with the confirmed scope, price and next step.
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.
Order Support
Request an order update by email
Enter the order ID issued in your confirmation email. A prepared status request will open so we can reply with the current progress or delivery link.
Order updates are confirmed by email
This avoids displaying private project information through a public lookup page.
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.