merge dataset

From: dengzq1987
Date: 13 March 2012 08:19

Hi CCP4bb,

 

I have two dataset from one crystal with different distance.now i am wondering how to merge the two dataset into one file,and use it to refinement.

 

 

thanks a lot!

 

 

deng

 

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From: Graeme Winter

Hello Deng,

Process them as usual with e.g. Mosflm, then sort them together (you
may need to rebatch one of the runs) and do one Scala run - this will
put all of the measurement on a common scale and write out data
suitable for refinement. For pointgroups with ambiguous origin choices
(e.g. P4) you should also run the data through pointless to confirm
you have made the same choice with both sweeps.

If you fancy, you can always run xia2 to do this, simply put all of
the images into one directory and run

xia2 -2d /here/are/the/images

to use Mosflm and Scala or

xia2 -3d /here/are/the/images

to use XDS / XSCALE (provided you have those installed)

Best wishes,

Graeme