PPT Slide
Le Bailing fitting : Knowing the limitations! Synchrotron data with position calibration problems
Non-unit weighting of reflections
Isotherm data of different temperatures colliding
Inappropriate to use Le Bail fitting on this data
Though Le Bail can detect these problems on the beam-line!!
Traditional Unitcell refinement
Unit weighting of reflections
(over a wide KeV range - the data is “on average” linear)
Isotherm data no longer overlapping