Automatic Rietveld refinements for industrial process control

RoboRiet from Malvern Panalytical is a special ‘execution-only’ implementation of the Rietveld method and profile fits for XRD phase quantification, amorphous quantification and more. It is designed for ‘black-box’ operation at production sites with minimal installation requirements. Quantification solutions can be developed using HighScore Plus, either by a company’s central laboratory or by Malvern Panalytical application staff.

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Easy automation

During installation RoboRiet is put into the auto-start sequence and is automatically running unattended and stand-alone, even after a reboot of the PC. RoboRiet is an unobtrusive tray process running in the background. It produces only limited graphic output or no visible output at all. Analysis results are automatically generated and transmitted to a file or a LIMS system.

Automatic processing of new measurements

RoboRiet observes a folder and detects the presence of new measured scan files (with a given size and/or with a given extension, if required) on its own. There is no need to link data collection and processing via batch programs, command lines or other intermediate software. Depending on the file name, RoboRiet automatically selects the proper way of processing each individual scan. Numerical results are stored or transmitted as pre-programmed. RoboRiet even stores a backup of the scan file for documentation or later inspection in case of unexpected results.

Encrypted control files

Crystal structures, refinement strategy, limits and constraints, all input for a Rietveld refinement are stored in an encrypted RoboRiet control file (.rrc). The definition of the output format is stored in the same encrypted file. This guarantees the integrity of the results and ensures that nobody can view, change or copy this information.


RoboRiet runs unattended and stand-alone as a tray process. The HighScore Plus software (same version as the RoboRiet version, 4.9) is required in order to set up and to test the refinements. The scripting feature of HighScore Plus is used to set up the customized reports and cannot be used stand-alone for automation projects.

Designed to support

Operating systems: RoboRiet is designed for the Windows 8.1 Pro (64-bit), or Windows 10 (64-bit) Current Branch for Business operating systems. A modern web browser is required to support XRDML files and to view the help system.

Recommended configuration

  • Operating system: Windows 10 (64 bit) Current Branch for business
  • Processor: Intel CoreTM i5 (quad core, 3.40GHz, 6MB)
  • Internal memory: 1 Gbyte (2-4 Gbytes for simultaneous analysis of many scans as in screening experiments)
  • Free hard disk space: 1 Gbyte (or more) depending on the amount of data and on the reference database(s) to be installed
  • Monitor: Super VGA monitor (17 inch or more) with a desktop area of 1024*768 pixel or more

The minimum configurations for the supported operating systems are

  • Windows 8.1 Professional 64 bit operating system