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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