To Eleanor, I changed the column label for two data sets, FreeR_Flag for the first data and F_xxxxx for the second data. Now CAD compiled the data successfully. The merged MTZ file contains column label like this H K L FreeR_Flag F_xxxxx I conclude to use this file for molecular replecement or / i need to use any other program to generate the final file. I am sorry about my silly question because this is the first time that i am working in two data sets. (unfortunately the data set found to be isomorphous). regards Jaimohan S.M.
--- On Thu, 30/9/10, Eleanor Dodson <c...@ysbl.york.ac.uk> wrote: From: Eleanor Dodson <c...@ysbl.york.ac.uk> Subject: Re: [ccp4bb] 'ERROR' in merging two data sets To: CCP4BB@JISCMAIL.AC.UK Date: Thursday, 30 September, 2010, 2:36 PM Different numbers of columns wont stop CAD working, but if you have the any occurence of the same labels in either file this will produce an error mesage - eg Label FreeRflag found twice.. And if you have labelled both data sets as Fnew or some such uninformative label, then again you will have this problem. However maybe as Phil suggests you dont want a file with H K L F2.0 etc F1.9Etc But you really want to merge the two sets of measurements into a single data set? Eleanor jai mohan wrote: > > Dear all crystallographers, Recently I have collected two data sets from two > different crystals, first data at 2.6A and second is at 1.9A, the datasets > were isomorphous. I tried to merge the two dataset as a single MTZ file > using CAD (CCP4i), but it is unsuccessful, i hope that the error starts from > the column label of the data sets. The first data has 13 and second data has > 18 columns. Please guide me how do i select the column labels. Need all of > your valuable suggestion and advice. > regards > Jai > > >
