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[ccp4bb]: [Q] MOSFLM -> Scala



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Woo Cheol Lee writes:
 > 
 > Maybe a somewhat novice problem here.
 > 
 > I'm scaling image data from CCD detector, but don't know
 > how to deal with mtz file. Here's the problem.
 > 
 > I indexed and integrated the images with mosflm, 
 > several images (about 5 of them) being integrated into
 > each block (all the diffractions are partial), stored in
 > one mtz file. Now I tried to scale each block with Scala,
 > but Scala couldn't understand the mtz file prepared by mosflm.
 > 
 > 
 >  Scala:  *** File must be sorted on H K L M/ISYM BATCH ***
 >  Scala:  *** File must be sorted on H K L M/ISYM BATCH ***
 > 
 > 
 > Is there a neat way to manage binary mtz files to be ready
 > for SCALA? I would appreciate any advice or scripts.
 > 
 > Thank you for your kind help in advance.


You need to sort the data

sortmtz hklin <file_from_mosflm> hklout <file_for_scala> << eof
H K L M/SYM BATCH
eof

or use the GUI ccp4i, which has a task option for this

	Phil