The offending line of code is here:
|
mtz = offmtz.merge(onmtz, on=["H", "K", "L"], suffixes=("_off", "_on")) |
The merge function needs the parameter check_isomorphous=False. Otherwise, reciprocalspaceship will refuse to merge the two DataSets together if they aren't strictly isomorphous. When using matchmaps.diagnose, this will frequently be the case!!!