New geometry refinement tool
The opacity of
DataTemplate makes it difficult to alter geometry. First, this needs to be addressed.
Then, we need a geometry refinement tool for the new CrystFEL version. Geoptimiser turned out to be very tightly bound to the old model. In fact, it seemed to be twisted round the model several times! I feel that the easiest solution is to write something new, perhaps based on the geoptimiser algorithm. I would like it to use a least squares calculation instead of counting pixels, which never made much sense to me (the outcome should not depend on the number of times a peak fell into a particular pixel!).