Full pattern approach for phase identification and much more
Whether you are interested in improved process control, or doing research and development, understanding your materials starts very often with understanding the powder diffraction pattern.
While Malvern Panalytical helps you in getting the best powder diffraction pattern with our diffractometers, one of your primary concerns is to identify the contents of your sample. HighScore is the ideal software for phase identification, semi-quantitative phase analysis, pattern treatment, profile fitting and more. The software package contains many supporting functions to display, manipulate and to evaluate your diffraction data. HighScore can handle all Malvern Panalytical XRD data formats and additionally most of the diffraction patterns from other suppliers.
A continuously developing package
We continuously innovate and update the HighScore suite to offer you the most comprehensive and user-friendly toolbox for XRD. In the newest release (version 4.7a) of the suite, various new functions have been added to HighScore:
- Instant candidates match – a new way to analyze single data points
- Autobrowse plays a movie of multiple datasets in one document
- Pair distribution function calculation from observed XRD scan: processing of laboratory source raw data and derivation of the G(r) function
When using HighScore/HighScore Plus in a scientific paper, please use the following citation:
The HighScore suite, T. Degen, M. Sadki, E. Bron, U. König, G. Nénert; Powder Diffraction / Volume 29 / Supplement S2 / December 2014, pp S13-S18
For further reading about what is new in the HighScore suite, you can download our brochure:
Complete integration of all tasks within one user interface
All software functions are seamlessly integrated within the program. Graphics and texts or lists are linked. Editing of graphics results in an immediate update of the text or list, and vice versa. There is a multiple undo/redo possibility available for all functions including batch processing. The size, visibility and contents of every graph or text pane can be customized and stored for future use. Some desktops and skins are predefined. Thumbnails help to select the proper raw data or analysis result. Each task can be executed in multiple ways by user-owned parameter sets.
Powerful search-match algorithm
The search-match algorithm in HighScore (Plus) combines peak and net profile data in a single search step, which usually produces the most reliable results. It can be tuned to use only peak data (acting more discriminative) or to use solely profile data (and behaving less selective). The candidate clustering feature suppresses multiple entries of similar patterns in the candidates list, making it easier to identify the minor phases in the diffractogram. Altogether, these features make HighScore (Plus) the preferred software for phase identification.
HighScore (Plus) supports the simultaneous use of reference databases. You can search through inorganic and organic databases in one go. All types of reference databases, from actual to legacy, from premium-quality ICDD products over mid-priced solutions to free downloadable databases are supported, including the Cambridge Structural Database.
User-owned reference data is kept separate from the commercial databases and can be stored in as many separate user databases as you like. All databases (commercial or user-owned) can contain reference data, structure data and reference scans.
Document-based structure with history and multiple datasets
HighScore (Plus) works on a copy of a measurement and leaves the original scan untouched. Measured scans, data derived from the measurements and analysis results are organized in documents. Each document can contain multiple data sets, which can be processed automatically in a batch. Data exchange between datasets and also between documents is as easy as copy and paste. Each document includes its own analysis history with all analysis steps and the used settings.
Automating your analyses
HighScore (Plus) offers the possibility to store routinely used sequences of data processing, analysis and reporting steps into user batches. By one mouse-click, a complete phase identification including reporting is carried out. Further automation is possible by starting HighScore (Plus) through the command line interface using the Automatic Processing Program.
Making your work easy using automatic reports
HighScore (Plus) offers extensive possibilities for reporting. Reports can be fully customized using Microsoft Word templates, allowing users to add company logos, introductory texts, pictures in combination with any analysis result from the software. Also, outputs in various ASCII formats can be created for connection to e.g. a LIMS system.
State-of-the-art profile fit with 3 model functions and options
Next to the ubiquitous pseudo-Voigt- and Pearson-7 profile functions, HighScore (Plus) supports a true Voigt function, especially useful for crystallite size and microstrain (or line profile) analysis. All profile functions are available unsplit, or single-split in either FHWM or in shape, or double-split to optimally describe asymmetric and complex profiles. The proprietary solver allows the stable refinement of hundreds of peak parameters together without using a parameter turn-on sequence. Individual peak profiles, the sum profile and the changes in mean FWHM or universal shape along the scan axis are shown in the graphics.
Extensive help system and tutorials for self-study
HighScore (Plus) contains a comprehensive help system, including theory, algorithms for most functions, and an up-to-date literature list. A Quick Start Guide helps you to explore the most common tasks step by step. The different analysis methods are covered by example data and tutorials that walk the user through the necessary steps and enable comparison of results with the benchmark.
Data exchange by XRDML, text and binary scan file formats of all major suppliers
Malvern Panalytical’s XRDML format (based on XML technology) is an open format for all types of experiments with the format description being available publicly. Other binary and ASCII file formats from Philips and other major suppliers are imported as well. The analysis results are available in text and graphic formats (.DOCX, .RTF, .PDF, .TXT, .HTML, .WMF, .PNG). Almost every element in HighScore can be selected and copied to the clipboard or exported in various formats for further use.
A special version with audit trail functionality for GLP and supporting 21 CFR Part 11 compliance is available.
HighScore supports the simultaneous use of multiple reference databases. All types of reference databases, from actual to legacy, from premium-quality ICDD products over mid-priced solutions to free downloadable databases are supported.
- Operating system: Windows 7 Professional, Enterprise or Ultimate edition (64-bit) with SP1, or Windows 8.1 Pro (64-bit), or Windows 10 (64-bit) Current Branch for Business.
- Processor: 64-bit dual or quad core, 3.40GHz, 6MB, or better
- Internal memory: 1 Gbyte (2-4 Gbytes for simultaneous analysis of many scans as in screening experiments)
- Free hard disk space: 10 Gbytes (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. Multiple monitors within the HighScore application are supported.
The minimum configurations for the supported operating systems are:
Windows 7 Professional (64 bit) operating system
Support of 21 CFR Part 11 with HighScore is only possible on the Windows 7 Professional (64-bit) operating system in combination with version 1.3 of the Malvern Panalytical Audit Trail Software (9430 032 959x1).
- Current version:
- Version 4.7, running on all versions of Microsoft Windows from 7 to Windows 10.