Z-Rietveld (Ver. 3.0.1) for macOS 14.6 or Later

The Z-Rietveld code has been comprehensively overhauled from 3.0.0.
The part of the development environment has been unified with the Windows version; a shared framework for input/output, analysis routines, etc. has been implemented.

Note:

No Expiration.
Apple Silicon Mac (M1, M2, M3, or newer). Intel-based Macs are no longer supported.

-----Changes from 3.0.0 to 3.0.1-----

Fixed an issue where the automatic updater check was not functioning correctly.
Disabled the selection of the zrietveld format in the "Open Analysis Data..." option.

-----Changes from 2.1.3 to 3.0.0-----
The .zrietveld format has been discontinued and replaced by the .zrietveldn format.

Added New Multiple Dataset Analysis in File menu.

[Added support for macOS 26　(Tahoe)]

Updated the app icon, the "+" and "-" buttons in the Propagation Vector editor, the layout for multiple chemical species on the same site, and the width of the ID buttons for global parameters.

[Updates]

• Updated the About, License, Authors, and Used Open Source License screens.

• Improved the names of global functions and global parameters.

• Improved global function names in the execution log.

• Changed the initial values of h, k, l for global functions to 0, 0, 1.

• In the exported .bla file for interatomic distances, swapped the labels and coordinates of the first and second atoms.

• In the exported .bla file for interatomic distances, changed the bond angle label row from Angle_BAC(degree) to Angle_ABC(degree).

• In the exported .bla file for interatomic distances, reordered symmetric_operation_B to symmetric_operation_A.

• Fixed an issue where the second and subsequent phases were not calculated properly when exporting interatomic distances.

• Removed ranges from the diffractometer.

• Limited h, k, l to a maximum of 255 each to fit the "TOO MANY PEAKS" error determination process into 1 byte.

• Removed the "Link with Crystal Model ID" checkbox in constraints to make them permanently linked.

• Disabled local parameter error checking during execution.

• Added "Priority on Accuracy (Disable OpenMP)" to the Debug menu.

• Corrected the English term for overall scale factor from "Common" to "Whole".

• Corrected "Correct" to "Collect" in the runtime log output.

• Improved Chinese localization.
• Changed the temporary folder used during IGOR integration.

• Fixed an issue in the scattering factor of the result log where the value of b1 was mistakenly output as a1.

• Fixed an issue where the last used folder location might not be saved when using "Open Analysis Data...".

• Prevented lines with tof=0 and twotheta=0 from being read when importing histogramIgor.

• Ensured column titles are compared case-insensitively when importing histogramIgor.

• Added support for the err title when importing histogramIgor.

• Ensured an error message is displayed when a diffractometer file is mistakenly loaded in the histogram file (intensity data) and diffractometer file selection.

• Fixed an issue where h, k, l for the global function Type0m in zDiffractometer files could not be read correctly.

• Improved the warning when [Profile function][h], [k], or [l] are missing in a zDiffractometer file.

• Fixed an issue where [h], [k], and [l] were not output when exporting zDiffractometer files.

[Bug fixes]

• Fixed an issue in inequality constraints where atoms with different coordinates on the same site were treated as identical, causing an error.

• Corrected the Hermann-Mauguin Short symbol for Space Group No.11 from P21/n to P21/m.

• Ensured that data_Z-Rietveld is written to the first line when exporting CIF files.

(Made it readable by software such as Avogadro and CrystalMaker.)

• Fixed an issue where calculation results for S^2, Rwp, Rp, Re, and d became incorrect when histogram data contained tof=0 or twotheta=0.

• Fixed an issue where the application would crash when displaying d Space in the histogram view if the third term of the conversion parameter was 0.

[Improved]

• Improved performance by caching the loading of scattering data and other elements during execution.

• Enabled multi-threaded compression for large data sets.