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mguthriem / PEARLsandpit

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Forbidden reflections #4

Open mguthriem opened 2 years ago

mguthriem commented 2 years ago

On SNAP, we clearly see intensity in forbidden diamond Bragg peaks. At present, allowed diamond reflections are hard-coded into FitTrans in the function pkintread (they were historically read from file). This has the advantage that forbidden reflections can be trivially added. There was discussion on replacing this, using a mantid crystal object to calculate hkls, which might make it harder to account for these.

I'll try to run a test to see if these forbidden reflections are causing some of the known issues with "unindexed dips".

MrCrab-2019 commented 2 years ago

Interesting! There is no reason that pkintread can't stay in place. The Mantid functions only replace the other hkl generators etc, which are all based on the symmetry.