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dkriegner / xrayutilities

xrayutilities - a package with useful scripts for X-ray diffraction physicists
http://xrayutilities.sourceforge.io
GNU General Public License v2.0
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orientation matrix compatibility with spec #48

Closed dkriegner closed 6 years ago

dkriegner commented 6 years ago

A user reported an incompatibility between xrayutilities and spec when it comes to orientation matrices. The definition of the B matrix used in xrayutilities is slightly different from the one used in spec which is derived from Busing&Levy Acta Cryst.. 22, 457 (1967).

this should be fixed in some way or the other

dkriegner commented 6 years ago

mentioned commit potentially fixes this issue. needs further testing