What’s New

Profex 4.3.0 released

Feature release, January 25, 2021

  • New dialog to query the COD database
  • Fixed bug in CIF import with space group 47
  • Show error messages of global GOALs in results list and HTML reports
  • Save baselines in presets

Profex 4.2.5 released

Maintenance release, December 31, 2020

  • Log file moved to a writable directory on Windows

Profex 4.2.4 released

Maintenance release, December 06, 2020

  • Disabled automatic check for updates due to issues with certain malware protection software
  • Added ESD export to Excel export
  • Fixed error with custom local goals not being exported to refinement reports

Profex 4.2.3 released

Maintenance release, November 18, 2020

  • Run multiple refinements in parallel in batch refinements (optional)
  • Optimized screen update
  • Export position of hkl tick marks in degrees 2theta instead of d when selecting „copy hkl data“ from the scan list.
  • Various 3rd party components updated to latest versions
  • Code notarization on Mac OS X

Profex 4.2.2 released

Maintenance release, October 18, 2020

  • Improved CIF and XML structure import
  • Fixed bug with anti-scatter slit in graphical instrument editor
  • Redirect DIA file to local temporary directory during refinements to improve performance

Profex 4.2.1 released

Maintenance release, September 19, 2020

  • Improved CIF import with batch verification
  • New import filter for RRUFF structure files
  • Export results directly to Excel
  • Fixed multiple listing of local goals right after installation
  • Fixed crash and display bug when adding hkl lines by double click
  • Fixed decimals in some instrument configuration pages

Profex 4.2.0 released

Feature release, August 05, 2020

Summary of new features: Profex-4.2-new-features.pdf (1 MB)

  • new graphical instrument editor
  • new chemical restrictions page in search-match module
  • F5 and F6 keys increment/decrement some variables in control files
  • select *.lam files directly from mouse context menu
  • calculates area of peak fit curves
  • shows variable values in curve list of peak fit dialog
  • option to always used the bundled BGMN version added
  • improved CIF import
  • options to draw box and fill background of graph legend
  • support for multiple device and preset repositories
  • toggle X-axis unit to d-values
  • function to add synthetic noise to scans
  • export of scans with angular corrections applied
  • new find in files dialog
  • new backdrop watermark
  • some optimizations for dark mode
  • checks online for updates
  • + many improvements and bug fixes

New tutorial available

April 20, 2020

Tutorial: Phase quantification using calibrated peak lists

Profex 4.1.0 released

Feature release, April 15, 2020

Summary of new features: Profex-4.1-new-features.pdf (1 MB)

  • Major improvements of CIF structure file import:
    • automatic recognition of missing Wyckoff symbols
    • improved detection of unit cell settings
    • automatically index new structure files
  • New module for generic curve fitting
  • Improved peak list
  • Support for Malvern/PANalytical XRDML v2.0 file format
  • More options to control phase matching and avoid false-positive matches
  • + various minor features and bug fixes

Profex 4.0.3 released

Minor update release, January 26, 2020

  • Adds support for new XRDML format (version 2.0 and newer) by Panalytical/Malvern

Profex 4.0.2 released

Bug fix release, October 19, 2019

  • Fixed a regression in the search-match module, which led to skipping many of the structure files
  • Set the graph status to active (red) when running search-match
  • Correctly initialize the scale of the electron density map dialog when used for the first time
  • Fixed wrong line width of overlays in electron density map dialog
  • Use anti-aliasing to draw overlays in electron density map dialog
  • Link to website added to the Help -> About Profex dialog

Profex 4.0.1 released

Bugfix and minor feature release, October 11, 2019

  • Qt library updated to fix random crashes and blank dialogs
  • Merge atoms with identical coordinates in CIF/XML import
  • Show the number of background coefficients in the refinement results tree
  • Fixed crash in ScanMath dialog with scans containing only hkl data
  • Show B1 and B2 (peak width parameters) in peak detection list
  • Fixed wrong sequence of settings initialization in Add/Remove dialog
  • Fixed location of log file when the program directory is not writable
  • More restriction options added to search-match module
  • Fixed compile error due to wrong path to zlib.h

Profex 4.0.0 released

August 31, 2019

User Manuals:

Profex-BGMN-Part-1-Installation-EN.pdf (2 MB)

Profex-BGMN-Part-2-Application-EN.pdf (6 MB)

Profex-BGMN-Part-3-UI-Reference-EN.pdf (2 MB)

  • New report generator
  • New search-match module
  • New electron density map module
  • Peak detection routine based on EFLECH
  • New code editor with line numbers and spell checking
  • Dark mode support for OS X
    • New syntax highlighter for dark mode
    • New icons for dark mode
  • New icons (flat, lightly colored)
  • Refinement of amorphous peak
  • New dash line scan style
  • Export of peak lists
  • New results window for statistical parameters, global and local goals
  • Text zooming with mouse wheel + ctrl
  • New import filters for Thermo WinXRD
  • Improved ScanMath dialog
  • Improved error handling in „import structure files“ dialog
  • New dialog to smooth scans

Profex 3.14.3 released

Bugfix release, March 17, 2019

  • Fixes error in CIF/XML file import dialog:
    • Some correct Wyckoff positions were falsely reported to be wrong, e.g. (x -x z).
    • Charge of ionic scattering factors was not recognized correctly, e.g. „O-“ instead of „O-2“.
  • New feature: Syntax checking in text editors, recognizes spaces around „=“ and some other syntax errors.
  • Obsolete configuration options in preferences dialog removed.

Profex 3.14.2 released

Bugfix release, February 14, 2019

  • Fixes a regression in the „Import structure file“ dialog, reporting wrong error messages (only version 3.14.0 and 3.14.1 were affected).

Profex 3.14.1 released

Bugfix release, February 09, 2019

User Manual: Profex-BGMN-User-Manual-EN.pdf (4 MB)

  • Fixes saving scans with negative values (e.g. the difference curve) to ASCII free format.
  • Fixes project handling issues with control files using capital file extensions (*.SAV).
  • Fixes zooming when using unit „counts per second“ for the y-axis.

Profex 3.14.0 released

December 30, 2018

User Manual: Profex-BGMN-User-Manual-EN.pdf (4 MB)

Summary of new features: New-Features-3.14.pdf (1 MB)

  • Permanently add hkl lines to plots
  • Context menu (right mouse button) on „Plot Options“ window allows changing the sorting of scans
  • More project information is shown in the „Projects“ list
  • Improved „Edit FPA Configuration“ dialog
  • Direct access to current Instrument Configuration file from „Instrument“ menu
  • New dialog to batch-edit all structure files in a project
  • Copy system information to clipboard from „Help -> about Profex“ dialog, useful for support requests
  • Hold Ctrl-key when dropping scans inserts the scans in the current project
  • Automatically disable favourites filter when no favourites are defined
  • Improved Grace graph export filter
  • Paste integral ranges from clipboard to peak integral window
  • Location of hkl buffer file and temporary directory can be customized
  • Structure indexing is now available from Tools menu
  • Opening project backups works accross Mac/Linux/Windows platforms
  • Import and export filters for GSAS standard powder data files
  • Double-click on file tabs synchronizes file tabs in all projects
  • Customizable limits for B1, k2 and TDS in preferences dialog
  • Various bug fixes

Frequently Asked Questions

December 02, 2018

A new page with frequently asked questions is available here.


June 23, 2018

User Manual: Profex-BGMN-User-Manual-EN.pdf (4.5 MB)

Summary of new features: New-Features-3.13.pdf (1.3 MB)

  • Major improvements in „Import Structure Files“ dialog
  • New dialog to display peak profile contributions
  • Choose between filled or transparent background in exported pixel graphs
  • Bugfixes in FullProf module
  • Fixed reading of neutron diffraction DIA files
  • New dialog to manually add a base line
  • Presets can store baselines and peak integral ranges
  • Changed behaviour with sample height displacement: Now shifting the measured pattern instead of hkl tick marks
  • Converts multi-scan files to multi-VAL refinement projects
  • Improved context menu in control file editor
  • New feature to open project backup archives
  • Comment / uncomment lines with F7 key
  • Varios bugfixes


Bugfix release, May 07, 2018

  • Fixes a bug when verifying the hkl index database: hkl indices of structure files outside of the structure repository are now removed from the database
  • Fixes a bug when quantification goals are not shown on new installations. Automatically adds the new quantification goals.
  • Shows a summary of which structure files failed to index.


Bugfix release, January 31, 2018

  • New preference option to fill the background of exported pixel images instead of leaving it transparent
  • „Recent files“ menues work again
  • Limit minimum size of reference structure selection box, to avoid it becoming very small when resizing the window
  • Fixed erroneously applied „Override Profile Function“
  • Window size on OS X is restored correctly
  • Fixed errors in Seifert *.val file import
  • Fixed opening files with underscores in file names from text editor context menu
  • Fixed bug with presets being disabled occasionally
  • Fixed not indexing new structure files at program start if the option is activated in the preferences


December 17, 2017

User Manual: Profex-BGMN-User-Manual-EN.pdf (4 MB)

Summary of new features: New-Features-3.12.pdf (1.4 MB)

  • Improved Add/Remove Phase dialog: Favorite phases and filtering
  • Auto-completion in reference structures menu
  • New tool: Calculate absorption coefficients
  • New tool: Mathematical operations on scans
  • New tool: Calculate integrated peak intensities
  • Copy scan data or graph to clipboard
  • New syntax for quantification goals (optional)
  • Various bugfixes

New tutorial

September 03, 2017:


Bugfix release:

  • Adds support for Mac OS X 10.12, drops support for 10.7 and 10.8
  • Fixes wrong convergence display on some systems
  • Fixes crash with „Instrument -> New FPA configuration“


  • More variables in the control files can be toggled with F5 and F6 keys or the mouse context menu
  • Shows sampleID in the graph title
  • New import filter for old Rigaku RAW formats
  • Shows tooltips of all overlapping hkl indices
  • New action „Open Refinement Project“ to directly access *.dia files
  • Shows goodness of fit in summary table
  • Customizable chi^2 acceptance limit for convergence display
  • Improved refinement presets
  • Shows number of open projects in status bar
  • Improved atomic scattering factor dialog


Bugfix release:

  • Fixes a problem with reloading the quantity goal table after refinements
  • Isotropic GEWICHT parameters can now be set to anisotropic with the mouse context menu


Bugfix release:

  • Fixes a problem with duplicating quantity GOALs on some systems


User manual: Profex-BGMN-User-Manual-EN.pdf (3 MB)

  • New menu „Tools“
  • New import and export filters for powder CIF (pdCIF) files
  • Sample ID is written to exported results tables
  • Major improvements in CIF structure file export
  • Improved y-axis context menu
  • Context menus on project list to run or close projects
  • Batch printing and SVG export of graphs
  • Export of single scans by right-clicking on Plot Options
  • Multiple selection of projects, used for closing and batch features
  • Optionally show graph file name without absolute file path
  • Shows current file name in status bar
  • Draw hkl reference lines on background scan instead of zero line (optional)
  • Improved management of GOALs (preserves custom goals when adding / removing phases)
  • Add sample ID to SAV file when applying a refinement preset
  • Optionally normalize phase quantities to 100 instead of 1
  • Vertical zooming on convergence display graph (scroll wheel)
  • Various bugfixes


Bugfix release:

  • Fixes a problem with adding / removing structure files using the „Add/Remove Phases“ dialog on some systems
  • Fixes a problem with chemistry calculation of elements specified as ions instead of oxides (e.g. Fluorine)


Bugfix release:

  • Fixes problems with summary tables on systems using „,“ as the decimal separator (e.g. German language)
  • Fixes conversion of multi-range XRDML files to XY files
  • Changed the legend of convergence progress graphs


Summary of new features: Profex-3.9.0-whats-new.pdf (1.3 MB)

User manual: Profex-BGMN-User-Manual-EN.pdf (2 MB)

  • New dock window showing the convergence progress (Rwp, Rexp, χ2)
  • Insert pre-defined text blocks
  • Global and Local Goals to be listed in the summary tables can now be specified as Regular Expressions
  • Atomic form factors can be plotted with Debye-Waller factors > 0
  • Find and replace dialog for text files
  • Margin colors of plot area can be customized and reset
  • Option to read wavelengths for spectral line cursor from *.lam file
  • Context menus for graph axis settings
  • Copy chemistry table to clipboard
  • Major internal code optimizations


User manual: Profex-BGMN-User-Manual-EN.pdf (2 MB)

  • A new dialog to plot atomic form factors (Help -> BGMN atomic scattering factors)
  • A new dialog to draw theoretical peak shapes of BGMN instrument configuration files (Instrument -> Show peak shape)
  • Support for „Learnt Profiles“
  • Writes the SampleID read from Bruker raw files as a comment to the SAV control file
  • Export of HKL lines to ASCII text files
  • A new export filter for Grace plots
  • Improved compatibility of exported CIF files with Vesta
  • + various minor improvements


User manual: Profex-BGMN-User-Manual-EN.pdf (2 MB)

  • Improved CIF and XML import
  • Export of CIF and CELL files
  • New layout for add / remove phase dialog
  • Warnings for phase quantities below limit of quantification and detection
  • Internal standard quantification
  • + various minor improvements


User manual: Profex-BGMN-User-Manual-EN.pdf (2 MB)

  • Scans can be activated and scaled with the middle mouse button
  • hkl tick mark positions are corrected for sample height displacement
  • Improved autodetection of BGMN configuration
  • New action „Save all text files in all projects“
  • R and χ2 values are exported by the function „export global parameters and goals“
  • New layout of preferences dialog
  • Major improvement of FullProf structure and device database
  • New preference to deactivate quantification GOAL management
  • New layout for add/remove phase dialog
  • Support for multiple structure database directories
  • „Apply control file“ feature also copies structure and device files to destination directory
  • Create a zip archive of a project for backup and sharing purpose
  • New shortcuts to toggle refinement state of parameters (F5 and F6)
  • New function to follow active batch refinement
  • Checksums for refinement presets to expose changes
  • + various minor improvements


Summary of new features: Profex-3.5-new-features.pdf (2 MB)

User manual: Profex-BGMN-User-Manual-EN.pdf (1 MB)

  • Support for more Bruker BRML file formats (single XML files with XML and binary data containers)
  • New cursor to show spectral lines for Kα1, Kα2, Kβ, and tungsten contamination lines
  • Import ICDD XML structure files
  • Rearranged  menu structure, new menu „Project“
  • New short cuts for actions (remove phase, open/close str files)
  • Removed option to show/hide texture in tooltips
  • Create presets from existing refinements
  • Rewritten storage of reference hkl lines, based on SQLite database
  • New zooming and dragging plot actions
  • Show grid lines
  • Fixed scales of non-linear y axis (sqrt, log10)
  • Removed coordinate conversion from CIF import
  • Tooltip (shift) and help menu to show overview of mouse and keyboard actions
  • Improved context help


Summary of new features: Profex-3.4-new-features.pdf (1 MB)

User manual: Profex-BGMN-User-Manual-EN.pdf (1 MB)

  • Refinement presets (see section 7.4 in the user manual)
  • New „Stop Refinement“ button to stop individual refinements while leaving others running
  • Create instrument template files from the instrument configuration dialog
  • Read instrument configuration from raw data files (experimental!)
  • Various minor GUI improvements and bug fixes


  • Removed the format „All Files (*.*)“ from the menu „File -> Open Graph File“, because it was causing an error message.


  • Fixed strange behaviour of the user inerface in Plot Options window
  • Fixed severe bug in chemistry calculation
  • Alt+LeftMouseButton can be used to scale reference lines (in addition to middle mouse button). This feature was added for Mac users with single-button mice.


Summary of new features: Profex-3.3-new-features.pdf (2 MB)

User manual: Profex-BGMN-User-Manual-EN.pdf (1 MB)

  • Option to restore the previous session
  • Non-modal cif import dialog
  • New implementation of spacegrp.dat dialog
  • Fixed a problem with selecting the wrong project after closing one
  • Improved inser tand delete of double STRUC entries
  • Option to use counts per second instead of counts on Y-axis
  • Ctrl + Double Clicke dumps coordinates to refinement output console
  • Moved „Copy control file“ button to different toolbar
  • New icons for various actions
  • Insert and remove individual scans to / from open projects
  • Stacking of scans
  • New export filter for Fityk
  • Context menu to fix / release parameters for refinement
  • Context menu to open files from control file
  • Added „Recent Files“ menues
  • Calculation of oxide composition
  • Removed Qt4 support
  • Various bug fixes and performance improvements


Summary of new features: Profex-3.2-new-features.pdf (2 MB)

User Manual: Profex-BGMN-User-Manual-EN.pdf (1 MB)

  • DIA files can be used as input files
  • fixed printing of graphs on OS X
  • major improvements for Bruker RAW version 4 files
  • support for STOE Raw files (experimental)
  • improved format of results exported to CSV
  • new export filter for Gnuplot
  • new icons and toolbar layout
  • new functions File -> Open/Close all str files
  • new function to search and index new structure files
  • writing log file on OS X
  • show/hide phase contributions and hkl indices was improved
  • improved auto-recognition of VAL[]= files
  • run batch refinement on selected projects only
  • improved error handling
  • new output tables for global and local parameters and goals
  • cursor showing noise amplitude (hold Shift key)
  • dialog to enter precise zoom range
  • support for sub-directories in STR and DEV file database
  • new option to change size of scan symbols
  • new option to switch off automatic scan conversion
  • fixed Save As function for text files to load the new file name
  • fixed infinite loop in case of non-existent STR and Device file directories
  • fixed asymmetric cross symbols for scans
  • point symbols follow the setting „symbol size“
  • fixed crash with preferences dialog
  • fixed bug in STR File Handling
  • fixed bug in copyControlFile when convertToXy is deactivated
  • fixed flickering of left y axis
  • performance improvements


  • Fixes a crash when closing the preferences dialog


  • Fixes a bug with scan files containing spaces or umlauts in the file name


Summary of new features: Profex-3.1-new-features.pdf (3 MB)

  • Mac OS X port
  • Syntax highlighting
  • Context help dialog
  • Shows reference hkl positions
  • Double-click to identify strong peaks
  • Renders graphs to PNG and SVG files
  • „Save file as“ function for graphs added
  • Improved Bruker Raw V3 and V4 import
  • Auto-detects whether a default control file must be created in Add Phase dialog
  • Shows hkl indices in the correct color
  • Indicates files containing unsaved data
  • Option to use custom wavelength
  • Auto-detects number of cpu cores
  • Shows Rwp, Rext and χ2 in summary table
  • Generates bitmap thumbnails
  • No more flickering of graph files during refinement
  • Fixed issue with font sizes on printouts and exported graphs
  • Shows texture value of hkl indices (if available)
  • Draws a line in the center of the difference curve
  • Shows correct intensities of the difference curve in the status bar
  • Shows progress and status in a system tray icon
  • various new configuration options
  • various code optimizations


  • new import filters for Philips RD/UDF, Reynolds PLT, TexturePlus OVL/XYP, Stoe PRO
  • new import filters for Rigaku DAT/RAW/BIN
  • new import filters for MDI Jade XML/MDI
  • new import filters for Bruker RAW V1/2/3/4 (V4 highly experimental) and BRML
  • new export filter for UDF, TexturePlus XYP
  • new dialog to show/hide individual scans
  • uses double precision to avoid rounding errors
  • export and batch conversion for graph files
  • better support for free-format scans (*.xy)
  • option to use a custom profile function, custom GOALs, and custom correction for Micro-absorption in BGMN structure files
  • text cursor positions in the status bar
  • show hkl positions in diagram (if *.OUT file is available)
  • option to show/hide legend
  • show crosshair cursor when holding control key
  • finds MakeGeq, Geomet, Gertest, Output executables automatically after choosing BGMN executable file
  • show correct axis lables for Omega scans
  • linear, log10, and sqrt scaling for y-axis
  • configure handling of multi-scan files (individual, summed, average intensities)
  • use dock widget for output console
  • Converter for CIF files to STR files
  • Copy Control file only to selected projects, not to all
  • Show/hide individual phases
  • ported to Qt5
  • various bug fixes and code optimizations


  • show individual phase contributions to calculated pattern
  • new dialog to edit BGMN instrument configuration files
  • new dialogs to remove phases for BGMN and Fullprof
  • support for gertest and peak profiles
  • dialog to browse SPACEGRP.DAT
  • option to overwrite existing STR files in Append Phase dialog
  • shows d-spacing in status bar
  • rewrite of automatic file name handling in BGMN SAV files
  • import filter for Seifert VAL files
  • linux version: correct file encoding
  • creates instrument template file if none is found
  • phase append dialog for Fullprof fixed
  • new implementation of Fullprof structure and instrument database
  • various bug fixes