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:

  • Comprehensive and extendable material and sample database.
  • Advanced automation and workflow capabilities including macro-recording and step-by-step execution.
  • Powerful and extensive report generator featuring template capability.


Quick XRR analysis using FFT estimation

You are interested in layer thicknesses only?

DIFFRAC.XRR sets the benchmark: With a single mouse-click, the Estimate tool evaluates the layer thicknesses via a Fast Fourier Transform (FFT) and directly adds the result into the corresponding graph of the XRR measurement.

The advantage of this method is, that it does not require any pre-knowledge about the sample under investigation.

Detailed XRR analysis via full Fitting

Interested in the full picture?

For detailed analysis DIFFRAC.XRR performs accurate simulations – applying dynamical scattering theory – to optimize the parameters of the sample model (e.g. thickness, roughness, mass density) by least-squares fitting. Experimental effects like instrumental resolution, background and the influence of the sample size are taken into account to precisely describe the measurements. Fast and reliable fitting algorithms ensure fast convergence and provide reliable results.

Sample model definition with unparalleled flexibility

From simple single layer samples to highly complex samples containing superlattices and gradients - DIFFRAC.XRR masters them all. Various interfacial roughness models enable a more accurate description of the different growth morphologies. The linking of layer parameters allows to impose constraints to the sample model. The availability of additional free variable sets new standards in the flexibility of sample modelling.

Comprehensive material database

DIFFRAC.XRR features a comprehensive and user extendable material database for amorphous and crystalline materials as well as mixed crystals up to quaternary compounds. The database includes calculation of structure factors or hkl patterns as well as X-ray properties like absorption, penetration depth, index of refraction, polarizability, etc..

DIFFRAC.XRR sets new standards: The use of additional user-defined variables in the definition of the sample model extends the flexibility and application range significantly.

Extensive reporting capabilities

DIFFRAC.XRR includes a professional reporting system for creating publication ready graphics and full analysis reports. You can design your propriatary report format and save it as a template. Reports can either be printed directly, shared as pdf-file, or further edited via .docx documents.


DIFFRAC.XRR Specifications


The current version of the software is DIFFRAC.XRR V1.0.

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 and 10

32- and 64-bit


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.