X-ray Diffraction (XRD)


DIFFRAC.XRR is the powerful and easy-to-use software suite for the analysis of X-ray reflectometry measurements.

Comprehensive X-ray Reflectometry Analysis

DIFFRAC.XRR features two different analysis approaches to best fit the user’s requirements:

  • Fast Fourier Transform (FFT) method for a quick layer thickness estimation from the X-ray Reflectometry (XRR) curves with a single mouse-click.
  • Detailed XRR analysis via sample-model based fitting using dynamical scattering theory.

DIFFRAC.XRR is designed to maximize the efficiency throughout the entire analysis process – from the creation of the sample model to the reporting of the results:

  • Flexible sample modelling including formula-based parameters and free fitting variables.
  • Comprehensive and extendable databases for materials and samples.
  • Advanced automation and workflow capabilities including macro-recording and step-by-step execution.
  • Automated analysis and display of series of reflectivity measurements.
  • Evaluation of wafer mapping data including customizable contour plots and statistical analysis.
  • Powerful and extensive report generator featuring template capability.

Instant XRR analysis using FFT analysis

When the analysis task consists in extracting a layer thickness, DIFFRAC.XRR sets the benchmark: With a single mouse-click, the Estimate tool evaluates the layer thicknesses via a Fast Fourier Transform and directly dis-plays the result in the corresponding graph of the XRR measurement.

Detailed XRR analysis via full fitting

DIFFRAC.XRR applies the dynamical scattering theory to perform accurate simulations. The parameters of the sample model (e.g. thickness, roughness, mass density) are optimized by least-squares method to fit the XRR curve to the measured data. Experimental contributions like instrumental resolution, background, and the sample size are integrated to accurately describe the measurements. Different fast and stable fitting algorithms ensure best convergence and provide reliable results.

Comprehensive material database

DIFFRAC.XRR features a comprehensive and extendable material database. It includes amorphous and crystalline materials as well as mixed crystals up to quaternary com-pounds. The database offers calculation of structure factors or hkl patterns as well as X-ray properties like absorption, penetration depth, index of refraction, and polarizability.To facilitate the creation of new database entries, .cif files, and .str files can be directly imported.

Sample-model definition with unparalleled flexibility

From simple single layer to highly complex samples containing superlattices and gradients - DIFFRAC.XRR masters them all. Various interfacial roughness models allow a precise description of the different growth morphologies. Layer parameters can be linked to impose constraints. And the availability of additionally user defined free variables sets new standards in the flexibility of sample modeling.

Sample database for faster and more efficient work

DIFFRAC.XRR comes with a powerful sample database.

Complex samples structures can be created, stored, and then directly loaded into the current analysis project. This significantly increases the efficiency in routine work.

Sharing the sample database with the measurement software DIFFRAC.SUITE also allows for a more efficient planning of the experiments and thereby greatly supports the PLAN.MEASURE.ANALYZE philosophy of the DIFFRAC.SUITE software platform.

Unrivalled reporting capabilities

DIFFRAC.XRR includes a professional print-ing and reporting system for the creation of reporting or publication-ready graphics and full analysis reports.

User-defined and fully customizable report templates can be generated. Reports can be printed directly, shared as .pdf files, or further edited as .docx files.


With DIFFRAC.XRR, X-ray reflectivity analysis has become easier than ever before:

  • Capture a workflow as you create it and reuse it anytime.
  • Use the intuitive Workflow Designer to create customized workflows.

From importing of the measurement data to the reporting of the results, DIFFRAC.XRR offers intuitive user guidance and automation.

Executing workflows

DIFFRAX.XRR offers two different implementations to execute workflows:

  • Workflows can be launched by an external program, called console mode. This is enabling an integration into fully automated thin-film analysis solutions.
  • The Runner allows step-by-step and step-back excecution of workflows for maximum control and user interaction.

Exporting results

The results of an XRR analysis often need to be exported for reporting or further proces-sing. DIFFRAC.XRR allows exporting of the following parameters into csv format:

  • Refined sample models.
  • List of free sample parameters.
  • Peaklists from PeakSearch and FFT analysis.

Analysis of a measurement series

Frequently, XRR investigations are performed with the sample under changing conditions like temperature or stress, for example.

DIFFRAC.XRR enables the easy and fast analysis of such data series: each refined parameter of the sample model can be evaluated individually as a function of the condition. Additionally, the statistical analysis can provide maximum insight into the sample’s properties and behavior.

Detailed Wafer analysis

Wafer or area mapping allows for the determination of lateral homogeneities of the sample.

DIFFRAC.XRR features full wafer analysis: each refined sample parameter can be displayed as a contour plot, detailed statistics on the parameters can be displayed, and sections along the surface allow for an in-depth look at the local sample properties.

Flexible reporting of measument series

DIFFRAC.XRR supports the reporting of results from wafer mappings and other XRR measurement series: customized templates can be created including waterfall plots, con-tour plots for the different sample parameters, or tables to present the results in a more compact way; reports can be saved in .pdf format.

Keep your DIFFRAC.XRR up to date

Free Maintenance Update

The free DIFFRAC.XRR Maintenance Update renews your XRRversion to the most recent release. Regardless of your XRR license level, you can always download the latest Maintenance Update from www.brukersupport.com, free of charge!

Download process

  • Register at Bruker Customer Support
  • Click on the "Software" button
  • Search for the DIFFRAC.XRR Maintenance Update
  • Download the update


By keeping your DIFFRAC.XRR up to date, you will benefit from all bugfixes made for the current but also all previously released versions, regardless of the license level. DIFFRAC.XRR Maintenance Updates are cumulative and can therefore be applied to any previous version.

What are Upgrades?

DIFFRAC.XRR Maintenance Updates do not come with new features. If you want to benefit from features introduced in new major releases you need to purchase the latest DIFFRAC.XRR upgrade.