Negating the DANO columns is the correct thing to do if the reindex operator changes hkl to h,-k,-h-l which will then be put back into the asymmetric unit with Friedel's law + symmetry
eg hkl (1,2,3) -> (1,-2,-4) ->Operator[-h,-k,-l] -> -1,+2, +4 The Friedel's law operator -h,-k,-l interchanges I+ & I-, ie negates DANO Phil On 13 Jan 2010, at 21:18, Francis E Reyes wrote: > Hi all > > I have data integrated and scaled to P21 via denzo/scalepack. I'm concerned > about > the workflow to obtain the alternate indexing arrangement (h,k,l) -> > (h,-k,-h-l). > > I was thinking .sca ( not specifying NO MERGE) -> .mtz -> reindex but the > documentation for reindex says all my DANO columns are 'negated' ( I do not > specify NOREDUCE). So I must run truncate on the reindexed intensities to > recalculate F(+/-) and DANO/SIGDANO) ? > > Thanks > > FR
