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Main repository for Mantid code
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Introduce Pawley function #11881

Closed MichaelWedel closed 9 years ago

MichaelWedel commented 9 years ago

This ticket is blocked by :

This ticket is blocks : TRAC9992

One mode of analysing POLDI data with the original analysis software is to perform a Pawley fit. In this approach, peak profiles are fitted to the data. Unlike in "unconstrained" peak fitting, the peak positions are not fitted individually, instead they are calculated from unit cell parameters.

While this functionality exists in other powder diffraction analysis software, it has to be implemented in Mantid in order to be able to use it for POLDI data. On the other hand, it should be made general enough so that it can be used in connection with other instruments as well.

In this ticket I would like to introduce an implementation example. A design document has been written already, but some points are still open for discussion.

Keywords: POLDI

MichaelWedel commented 9 years ago

This issue was originally trac ticket 11043

MichaelWedel commented 9 years ago

http://trac.mantidproject.org/mantid/raw-attachment/ticket/11043/PawleyFcc3_6.nxs (uploaded by @MichaelWedel on 2015-03-16T16:26:33)

http://trac.mantidproject.org/mantid/raw-attachment/ticket/11043/PawleySi.nxs (uploaded by @MichaelWedel on 2015-03-19T16:36:02)

http://trac.mantidproject.org/mantid/raw-attachment/ticket/11043/PawleyFunctionDiagram.pdf (uploaded by @MichaelWedel on 2015-03-20T16:03:52)