[ccp4bb] Multi crystal averaging : data on same scale before averaging?

2011-07-14 Thread Francis E Reyes
Hi all Walking through multi xtal averaging with RAVE. I finally got a good mask and optimized NCS for my xtal forms. However, in the CRAVE manual I see this - the reflections in the input MTZ files *MUST* have been put on the same temperature factor scale prior to cross-crystal

Re: [ccp4bb] Multi crystal averaging : data on same scale before averaging?

2011-07-14 Thread Edward A. Berry
If I recall correctly DATAMAN does Wilson scaling in which the scale and B-factor are adjusted so the average reflection intensity in resolution bins are the same. I suspect it may not be required if all the data have been put on an approximately absolute scale by e.g. truncate (although that

Re: [ccp4bb] Multi crystal averaging : data on same scale before averaging?

2011-07-14 Thread Gerard DVD Kleywegt
This is correct - see http://xray.bmc.uu.se/usf/dataman_man.html#S27 At the time I wrote this (1993...), I was a recovering NMRtist and The Other Gerard was doing a sabbatical in Uppsala and in fact in the office next to mine. He pointed out that I had to do this and also provided code.