On Sun, Nov 06, 2011 at 05:35:29AM +0000, Ramanuj Banerjee wrote: > I used CAD for merging datasets during MIR. I faced the same problem. The > solution is: the datasets you are trying to merge should have different > labels i.e if dataset 1 has labels: F and SigF, dataset 2 should be F_d1 and > SigF_d1. Mention the labels during the cad run.
That might make life easier - but a simple cad hklin1 one.mtz hklin2 two.mtz hklout onetwo.mtz <<e LABI FILE 1 E1=F E2=SIGF LABO FILE 1 E1=F1 E2=SIGF1 LABI FILE 2 E1=F E2=SIGF LABO FILE 2 E1=F2 E2=SIGF2 e can do something similar. That is for 'merging' two MTZ files (ie. gluing together columns), not merging two datasets into one (see pointless/scala answers). You can also do cad hklin1 one.mtz hklout one_tmp.mtz <<e LABI FILE 1 E1=F E2=SIGF LABO FILE 1 E1=Fcmb E2=SIGFcmb cad hklin1 two.mtz hklout two_tmp.mtz <<e LABI FILE 1 E1=F E2=SIGF LABO FILE 1 E1=Fcmb E2=SIGFcmb e mtzutils hklin1 one_tmp.mtz hklin2 two_tmp.mtz hklout onetwo.mtz <<e UNIQ e which will fill up missing data in one file with the data present in another MTZ file. There's not a lot one can't achieve with those low-level utilities in CCP4, but be careful of the order of doing things (both in CAD and MTZUTILS), sorting issues etc. it can be very educational to have a look at the input files and the output file with % mtzdmp some.mtz -n -1 > some.mtzdmp to check it does exactly what you want to do. Cheers Clemens -- *************************************************************** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-------------------------------------------------------------- * BUSTER Development Group (http://www.globalphasing.com) ***************************************************************
