Version 1.3.1

Version 1.3.1 is a minor update focusing mainly on improvements to the user interface. All users are recommended to upgrade for the new features and bugfixes:

• A proper installer is now provided for Windows.
• The back and forth buttons now remember changes to fitting settings and diffractometer settings, including which model was used. Fixes #29
• The file operations now remember what was the last location a file was loaded from or saved to. This is serialized in config.json to preserve the information between sessions.
• As documented in the manual Parameter 15 corresponding to the probability of 3R stacking in the 2 layer model is used in the 1 layer model to represent g, the fraction of low strain carbon. The UI changes to reflect this when the 1 layer model is used. Fixes #28
• CarbonXS GUI will now raise an error if all the values in either fit parameters, fit settings, or diffractometer settings are zero as the default blank-slate state and prompt the user to enter some starting values.
• Tab order through the interface is fixed. Fixes #30
• An error will be raised if the user attempts to export the data with nothing loaded.
• The order of the options in the Export / Import submenus now matches the order the Fit Parameters, Fit Settings, and Diffractometer settings are displayed on the main UI.
• Fixed an issue where using the quit option instead of closing the window does not persist settings in config.json.
• Documentation updated to reflect changes in 1.3.1.

Version 1.3.0

Release version 1.3.0 is a major feature update. The following new features have been added.

New features

• Support for scaling in high DPI displays has been added. Previously, the window could not be readily resized and resulted in incorrect rendering (Issue #27). In this version, the UI will scale properly on high DPI displays.
• A standalone build for Mac OSX is now available. This is still experimental, but supports versions Mac OSX 10.10 and above. Testing was done on 10.10.5, 10.11.6, and 10.12.4. There is no more need for the complex installation process on OSX.
• The relative size of the left side and right side is now adjustable.
• The relative size of the plot and the console is now adjustable.
• The background is now displayed for the calculated fits.
• A new button is added to enable refinement of background parameters only.

Changes and Bugfixes

• Configuration folders and data storage folders have been moved from within the program folder location to the operating system defined user_data_dir directory specified by the appdirs package. This is also the default directory that opening a file directs to.

  • Windows: C:\Users\YOURUSERNAME\AppData\Local\CarbonXS_GUI\CarbonXS_GUI
  • Linux: home/YOURUSERNAME/.local/share/CarbonXS_GUI
  • Mac OSX: /Users/YOURUSERNAME/Library/Application Support/CarbonXS_GUI

• The gradient checking options have been removed from the UI. By default they are off. This is a feature not intended to be used by users but for debugging purposes of the original CarbonXS code. Documentation has been updated to reflect this.

• Using the back and forth buttons in the middle of a fit is now disabled.

• [Bugfix] Parameters for A/d002/La/M were not being checked properly.

Version 1.3.0-beta2 - OSX Release

This is an experimental OSX release for CarbonXS GUI with support for Mac OSX version 10.10 and above.

Version 1.3.0-beta

This is a pre-release version of 1.3.0 with support for high DPI displays.

Version 1.2.1

Version 1.2.1 is a major bugfix release with minor feature updates. Because of the bugfixes to CarbonXS, we strongly encourage everyone to update. This update modifies the source code of CarbonXS: Linux and OSX users are required to recompile by running the compile.sh shell script after pulling the latest release from the Github repository. These bugfixes should solve a significant portion of the carbonxs crashes users have been encountering.

New Features

• Keyboard shortcuts have been added for common operations like opening a diffraction pattern, running a calculation, and performing a fit. Hints have been added to the various buttons on the screen. Please see the tutorial for more information.
• We included a font file for the message console. Windows users were unaffected but Linux and OSX users were defaulting to a non-monospaced font for the message console.
• Installation instructions have been added for Fedora Linux. We have tested this on Fedora 25 Workstation to demonstrate that the program is not limited to Ubuntu (and other Debian) flavors of Linux.

Bugfixes

• There were a few cases where CarbonXS was failing silently and freezing if a singular matrix is encountered.
• As reported in issue #8, CarbonXS would sometimes fail to write a full carbon.out file and output the initial and final parameters to the console, crashing instead. This is due to a bug in the original code where large numbers on printout were causing the dynamic generation of a format statement to generate an invalid statement. We have done away with this dynamic generation and went to one where scientific notation is used instead.
• If the Chi² value is too large this is represented as a string of asterisks "*************". All Chi² values are now presented in scientific notation so extremely large values can be expressed.
• Linux and OSX operating systems use case sensitive filenames. This was causing a loading of the most recently used carbon.inp file to fail on these systems since we were looking for "CARBON.INP."

Version 1.2.0

Version 1.2.0 is a major feature update. All users are encouraged to update. Windows users may download the latest pre-packaged versions below. OSX and Linux users should do a pull from the repository. There is no need to recompile the CarbonXS program.

New Features

• Plot of the experiment / fit data shows the filename of the currently loaded file at the top.
• Added a dashed line to show the previous fit so you can tell how the fit changed between sessions.
• Added undo / redo buttons at the top. This allows you to roll back to previous fits and calculations.
• Load text file dialog now remembers your previous selections for number of header lines and text separator.
• Options are now persisted between sessions in config/config.json: text file dialog options, lock axis options, show previous options.
• Documentation has been updated to reflect the new features.

Bugfixes

• Parameter load check for DWF and PO were looking at the wrong variable.
• Large numbers for certain fit parameters were causing them to be disabled for fitting. This has been fixed by exporting everything to scientific notation in the setup of carbon.inp.

Version 1.1.3

Version 1.1.3 is a combination bugfix / new features release.

New Features

• As part of the effort to improve support for different data formats (Issue #11), a new dialog is provided for loading text data files with an arbitrary number of headers. The user is also asked to specify the separator. This should allow for the loading of .txt files generated by Rigaku Miniflex instruments.
• Two checkboxes are added to lock the graph scales during calculation and fitting. (Issue #13)

Bugfixes

• CarbonXS GUI silently set nonsensical values to 0.0 if they were output from fitting. For instance, if Pr or Pt were outside the [0,1] range. We now load these values and emit a warning to the console if this happens. (Issue #12)
• Calculation mode was not properly showing the correct difference value. This is because CarbonXS does not read in a pattern in calculation mode. We worked around this by using linear interpolation to the angle values of the currently displayed pattern and then doing a difference with the currently loaded pattern. (Issue #15)
• Prevent difference plot from being calculated when no current pattern was loaded.

Because there are major bugfixes, we recommend all users update to 1.1.3.

Version 1.1.2

Version 1.1.2 is a minor update:

• The default plotting mode for loaded data and fit-source plots is now semi-log scale. Closes Issue #9.
• The following data formats can now be directly loaded into Carbon XS GUI:
  • Jade *.mdi format
  • Rigaku *.ras format
  • PanAnalytical *.xy format
• CarbonXS can now also export the fitted result to Jade *.mdi format. This is useful for when we want to use Jade to perform fitting alongside CarbonXS in the case of mixed carbon and metal materials.
• Please submit requests for formats to import or exports to issue #11

Version 1.1.1

This is a minor bugfix release.

The original version of CarbonXS has a bug where the diffraction pattern of the two-layer model is incorrectly computed in calculation-only mode. Parameters M, SM, del, Pr and Pt were being scaled for the fitting mode and not the calculation-only mode. As a result calculated patterns made with the two layer model were different in fitting mode and calculation mode.

1.1.1 fixes this by performing the parameter scaling for calculation mode properly.

Version 1.1.0

• We have been able to successfully compile CarbonXS using gfortran. This enables the compiling of the software on modern operating systems.
• Updated documentation to include directions for installing and compiling on Linux and OSX.
• Recompiled CarbonXS with gfortran on Windows is now used.
• Resolves #7 - Fixes numbers being too large being printed as *********
• RC1 updated to include binary that static links against libgfortran and also the needed DLLs to run it on a Windows machine without needing to have anything installed beforehand.

Installation

• Support added for running on Linux and Mac OSX.
• OSX and Linux users, please see directions on the installation page.

Tested Systems

• Ubuntu Linux 16.04 LTS
• Windows 7 Pro and Windows 10 Pro
• Mac OSX 10.10 (Yosemite) and 10.12 (Sierra)