$crystaldiffract database$

$crystaldiffract database$

Crystaldiffract database update#
Crystaldiffract database plus#

CrystalDiffract now tries harder to infer site occupancy information from files which omit the (important!) site occupancy symbol data.

$crystaldiffract database$

We now respect the original symbols.įixed an issue reading from legacy session files. Improved crystal editor: it is now possible to toggle the 'On' setting for all selected rows simply by clicking a single checkbox.įixed a rare issue with CIF import in which non-standard element symbols (e.g., 'Va') were replaced with standard equivalents (e.g., 'V'). Increased the maximum TEM voltage from 1000 to 9000 keV.

Crystaldiffract database plus#

This version includes an improved crystal editor, higher TEM voltages, plus miscellaneous fixes and enhancements.Īuto-open Patterns List when importing a multi-structure file. As a result, zooming in to high magnifications should reveal smooth, continuous profiles, without abrupt steps. Thanks to the faster peak-profile generation, we are now able to simulate extremely-wide peak 'tails' for Lorentzian and Pseudo-Voigt peak profiles. CrystalDiffract now uses multi threading to dramatically speed the process of profile calculation.

Crystaldiffract database update#

The Check for Update command is now available when running in 'Demo Mode'.įaster Profile Generation. (This corrects a potential - although very-rare - issue in which the program could become bogged down drawing excessive numbers of tickmarks when the minimum and maximum values were almost equal.)įixed a crash when clicking on the Recent Files button and the list is empty.įixed an issue showing the version in the About dialog. Improvements to the diffraction graph's y-axis scaling for very small values. Similarly, the Structure Factors data file uses 'I(Integrated)' in place of 'Intensity'. For example, the integrated intensity column in the Reflexions list is now labelled as 'I(int)'. To avoid potential confusion between peak intensity (height) and integrated intensity (area), various 'Intensity' labels have been renamed. This version includes miscellaneous fixes and enhancements.ĬMTX files containing numeric site labels (or labels whose first character begins with a numeral) can now be imported safely.

$crystaldiffract database$