========================= Indirect Geometry Changes ========================= .. contents:: Table of Contents :local: New Features ------------ - When loading resolution data containing `NAN` values into :ref:`Data Analysis ` they will be replaced with zeros and a warning displayed to the user. - Added the quasielasticbayes package to the Linux standalone tarball. Bugfixes -------- - The data analysis GUI will no longer crash when using plot guess if the sample data contains NANs. - Fix bug when choosing the :ref:`EISFDiffSphereAlkyl ` algorithm in the F(Q) fit tab of the Indirect - Data Analysis window. Algorithms ---------- New features ############ - Added :ref:`BayesQuasi2 `, based on the quickBayes package, as a replacement for the now deprecated :ref:`BayesQuasi `. - Added :ref:`BayesStretch2 `, based on the quickBayes package, as a replacement for the now deprecated :ref:`BayesStretch `. Bugfixes ############ - :ref:`Abins ` now delegates parsing of CASTEP .phonon files to the Euphonic library. This gives more robust handling of data files containing Gamma-points with LO-TO splitting; the legacy parser skips past other q-points to find these points, leading to an unpredictable loss of information. Whereas the previous parser favours points with LO-TO splitting, this implementation instead favours non-split points where available; these should give better statistics. Note that very problematic .phonon files which were losing data away from Gamma are rare; typically CASTEP will include the Gamma points at the top, as assumed by the current behaviour. - The Abins GAUSSIAN parser now reads "Standard Orientation" positions. This does not affect results but prevents errors when "Input Orientation" data is missing from the .log file. - Support vasprun.xml files from Vasp 6 in Abins/:ref:`Abins2D `. The data units have changed since Vasp 5 from atomic units to THz; this format is now detected and an appropriate frequency conversion factor is used. - Fixed a bin edge error and exception raised when performing an elastic reduction for a single scan with (:ref:`ElasticEMUauReduction `). :ref:`Release 6.8.0 `