Hi, I want determine the spacegroup with pointless and it should directly write out the mtz in the best sg. When I give a mtz with Structure Factor amplitude pointless recognize the file (9 columns) change the space group and the new file in the new space group has just 7 columns and FP and SigFP diappeared. Running pointless with the option match to reference it works fine and the all columns are there. I tried it from commandline and Interface but it does not work. I use pointless 1.6.5. Has anyone a suggestion what goes wrong here. Does it prevent user error when merged F's are given and omit them from the final mtz? However the input mtz was in P1 so it should be not a problem.
Thanks in advance Best Regards Christian