New Match! version 3.12 Build 214
October 25, 2021
Today we have released the new version 3.12 Build 214 of Match!, our software for phase analysis using powder diffraction data. The new version provides several new commands for batch scripting as well as fixes for all currently known bugs.
Here is the full list of improvements in the new version:
- When using the command "File / Export / Reference pattern (peaks)", a new file format "Peak list (2 columns: 2theta I) (*.dif)" is now available. After selecting it, you will be asked to confirm or enter the wavelength that is used for the calculation of the 2theta values. This can e.g. be useful if the reference database entry pattern was calculated using a different wavelength than the one that is currently set in your document.
- New command "Pattern / Decrease resolution..." decreases the resolution of the experimental diffraction pattern. This is achieved by averaging the intensity values of a user-defined number of raw data points.
- The width of the marks for uncorrelated peaks (light-orange bars in the background of the pattern graphics) is now adapted to the FWHM of the corresponding peak.
- Scripting has been improved, by adding several new commands for controlling Match! using a batch script file:
- export_profile_data_2theta_I(filename, wavelength) exports the current experimental profile diffraction pattern as a 2-column ASCII text file (2theta vs. intensity), using wavelength for the calculation of the 2theta values from the given d-values.
- set_y-axis_scaling(scaling); scaling = "IREL", "CTS", "LOG_IREL", "LOG_CTS", "SQRT_IREL", "SQRT_CTS" sets the scale of the y-axis (intensity axis) to relative intensities ("IREL"), absolute intensities / counts ("CTS"), logarithm of relative intensities ("LOG_IREL"), logarithm of absolute intensities / counts ("LOG_CTS"), square root of relative intensities ("SQRT_IREL"), or square root of absolute intensities / counts ("SQRT_CTS").
- trim_pattern_left(2theta) crops the diffraction pattern on the left-hand side at 2theta.
- trim_pattern_right(2theta) crops the diffraction pattern on the right-hand side at 2theta.
- increase_resolution(factor) increases the resolution of the experimental diffraction pattern by 'factor', by inserting interpolated data points. 'factor' must be an integer value between 2 and 10.
- decrease_resolution(number) decreases the resolution of the experimental diffraction pattern by averaging the intensity values of 'number' data points. 'number' must be an integer value larger than 1.
- subtract_background_zero_negative subtracts the background, then sets all negative intensity values to zero.
- remove_pattern(index) deletes the additional experimental pattern 'index', where 'index=1' is the first additional pattern above the main ("anchor") diffraction pattern, 'index=2' is the next but one etc.
- subtract_from_pattern_below(index, use_relative_intensities, negative_intensities_treatment, SampleID) subtracts the additional experimental pattern 'index' from the pattern "below" (in the pattern graphics).
- add_to_pattern_below(index, use_relative_intensities, SampleID) adds the additional experimental pattern 'index' to the pattern "below" (in the pattern graphics).
- scale_pattern_counts(index, factor) multiplies all absolute intensity values (counts) of the experimental diffraction pattern "index" (index=0: anchor pattern; index > 0: additional pattern) with 'factor'.
- export_profile_data_index(index, filename) exports the experimental diffraction pattern 'index' (index=0: anchor pattern) into a 2-column file 'filename' as d vs. intensity.
- export_additional_profile_data_2theta(index, wavelength, filename) exports the experimental diffraction pattern 'index' (index=0: anchor pattern) into a 2-column file 'filename' as 2theta vs. intensity, where the 2theta values are calculated from the d-values using 'wavelength'.
- Several bugs have been fixed:
- [Windows 64-bit version only] Caused by an unknown issue in the installer program, the installation of the Windows 64-bit version of Match! on some PCs could get stuck when it was nearly finished, right at the point when the desktop icon was about to be created.
- [Windows version only] Due to a bug, the license registration could get lost during an update of the Windows operating system (e.g. from Windows 10 to 11.
- A severe bug affecting the adding of new entries to the current reference database (causing a corruption of the reference database) has been fixed.
- After subtracting the background, the intensities of peaks and calculated profile could have been wrong.
- Some minor bugs have been fixed.
Match! version 3 users should check their update permission time (e.g. in "Help / About Match!") and then
download and install the new version 3.12 Build 214 from here.
Match! Demo Version and Information
If you are new to Match! and would like to learn more about it, please
visit the Match! web page.
where you can also download a full-featured (time-limited) demonstration version free-of-charge.