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 user’s 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.


Quick XRR analysis using FFT analysis

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

Detailed XRR analysis via full fitting

For detailed analysis 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 the sample size are integrated to accurately describe the measurements. 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 compounds. The database offers calculation of structure factors or hkl patterns as well as X-ray properties like absorption, penetration depth, index of refraction, 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 songle layer to highly complex containing superlattices and gradients - DIFFRAC.XRR masters them all. Various interfacial roughness models allow precise description of the different growth morphologies. Layer parameters can be linked to impose constraints. And the availability of additional free variables sets new standards in the flexibility of sample modelling.

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 increases the efficiency in daily routine work significantly.

Sharing the sample database with the measurement software DIFFRAC.SUITE also allows for 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 printing and reporting system for the creation of cutting edge, 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-file, or further edited via .docx documents.


Routine X-ray reflectivity analysis has never been easier: DIFFRAC.XRR can record macros and execute them in a single run or in a step-by-step mode.

The Workflow Designer offers an intuitive interface for the creation of workflows that guide the user through the analysis or run it even fully automated – from importing of the measurement data to the reporting of the results.  

Analysis of measurements

Often series of XRR measurements are taken with the sample under varying non-ambient conditions.

DIFFRAC.XRR enables the easy and fast analysis of such data series: each refined parameter of the sample model can be displayed individually as a function of the non-ambient parameter. Additional statistical analysis is available to deliver maximum insight into the sample's properties and behaviour.

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, detailed statistics on the parameters can be displayed and sections along the surface allow for a detailed look at the local sample properties.


DIFFRAC.XRR Specifications


The current version of the software is DIFFRAC.XRR V2.0.

Analytical methods

FFT method for fast thickness estimation.

Dynamical diffraction theory via Recursive matrix formalism.

Effective density model (EDM) for simulation of ultra-thin layers.

Method of Eigenwaves (MEV) for fastest simulation of superlattices.

Operating system

Windows 8, 8.1 and 10



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.