What’s New

New tutorial

September 03, 2017:

3.11.1

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“

3.11.0

  • 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

3.10.2

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

3.10.1

Bugfix release:

  • Fixes a problem with duplicating quantity GOALs on some systems

3.10.0

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

3.9.2

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)

3.9.1

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

3.9.0

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

3.8.0

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

3.7.0

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

3.6.0

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

3.5.0

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

3.4.0

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

3.3.2

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

3.3.1

  • 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.

3.3.0

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

3.2.0

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

3.1.3

  • Fixes a crash when closing the preferences dialog

3.1.2

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

3.1.0

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

3.0.0

  • 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

2.3.2

  • 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