Local atomic pair distances
laboratory or synchrotron X-ray PDF
Material Analysis · Structure & Spectroscopy
Total Scattering and Pair Distribution Function Analysis (PDF)
Characterise local atomic pair distances, short- and medium-range order, and phase fraction, disorder, and nanoscale structural change using a scope agreed around your sample and decision.
- Price
- from£1500 per sample, excl. VAT
- Turnaround
- 15 working days Preparation and scope dependent
- Available platforms
- Rigaku SmartLabMalvern Panalytical Empyrean
- Typical outputs
- Corrected total-scattering patternG(r) pair distribution functionFitted structural model and residualsProcessed spectra
Why this service
What PDF can help you understand
Total Scattering and Pair Distribution Function Analysis is selected when the project needs defensible information on local atomic pair distances, short- and medium-range order, or phase fraction,…
Short- and medium-range order
neutron PDF
Phase fraction, disorder, and nanoscale structural change
variable-temperature or operando PDF
Choose the scope
Start from the question, not the tool
The method, preparation route and reporting depth depend on what you need to decide.
Laboratory or synchrotron X-ray PDF
local atomic pair distances
- Best used when
- local atomic pair distances
- Typical result
- Corrected total-scattering pattern
- Preparation note
- Exact mass and any drying or dispersion step are confirmed after technical review.
Neutron PDF
short- and medium-range order
- Best used when
- short- and medium-range order
- Typical result
- G(r) pair distribution function
- Preparation note
- Declare biological hazards and confirm fixation, dehydration, temperature and disposal requirements.
Variable-temperature or operando PDF
phase fraction, disorder, and nanoscale structural change
- Best used when
- phase fraction, disorder, and nanoscale structural change
- Typical result
- Fitted structural model and residuals
- Preparation note
- Confirm power, connections, operating state, access restrictions and permitted disassembly.
Common outputs
A result package matched to the decision you need to make
Fields, conditions, processing and file formats are confirmed before work begins.
Corrected total-scattering pattern reported with the agreed units, sample reference and measurement conditions.
G(r) pair distribution function supplied in a labelled format suitable for direct sample or condition comparison.
Fitted structural model and residuals provided with the processing basis and quality checks agreed during technical review.
Processed spectra included when selected in the confirmed reporting scope.
Sample requirements
What to provide before work begins
Provide representative, clearly labelled samples and identify the decision, feature or comparison that matters.
| Suitable sample | Submission requirement | Planning note |
|---|---|---|
| Powder / particles | Provide a dry, homogeneous and clearly labelled sample in a sealed container. | Exact mass and any drying or dispersion step are confirmed after technical review. |
| Biological / soft material | Provide fixed, preserved or otherwise stabilised material in the agreed container and medium. | Declare biological hazards and confirm fixation, dehydration, temperature and disposal requirements. |
| Device / assembly | Provide a complete labelled device or assembly with drawings, interfaces and operating limits. | Confirm power, connections, operating state, access restrictions and permitted disassembly. |
| Solid / component | Provide a clean, stable and clearly labelled specimen with the target face or region identified. | Confirm dimensions, cutting permission and whether the original geometry must be preserved. |
Objective: state the decision, comparison or acceptance criterion the work must support.
Handling and access: declare hazards, instability, confidentiality, file constraints or special logistics before dispatch or transfer.
Questions and answers
Common planning decisions
Short answers to issues that can change preparation, scope, timing or interpretation.
What should I send for Total Scattering and Pair Distribution Function Analysis?
Provide powder / particles, biological / soft material, device / assembly, solid / component as applicable. Exact quantity, dimensions and preparation are confirmed during technical review.
Which analysis option should I choose?
Choose the mode around the decision you need to make. For local atomic pair distances, start with laboratory or synchrotron X-ray PDF; add neutron PDF when comparison or quantification is required.
How long will the test take?
Typical turnaround is 15 working days after sample acceptance and method confirmation.
What can limit the result?
Corrections, background, Q range, and model choice strongly affect real-space results. Different structural models can fit similar PDFs without complementary constraints.
Configure the service
Send the information needed to scope PDF correctly
- Sample form, material, dimensions and quantity
- Feature or decision the result must address
- Required comparison, acceptance criterion or reference
- Preferred output and reporting depth