Pointless can really only determine the space group from an unmerged file which wouldn't contain a merged amplitude F, so I'm not quite sure what you are trying to do
Can you send me the file & your command off-list & I'll check best wishes Phil On 30 Jan 2012, at 13:54, Christian Roth wrote: > 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
