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You probably want to check your input script for scala; make sure that you
have a series of lines looking like: run 1 batch 1 to 20
I don't think that your dataset association is the problem, because
checking some of my scala logfiles (where scala seemd to worked), show
identical associated datasets information.
Failing this, you could also check your mtzsort script.
Hope this helps,
Pete
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CCP4 home page http://www.ccp4.ac.uk ***
>
>
> Hi all,
>
> We have a slight problem here with an mtz-file coming from mosflm
> through sortmtz and destined for scala. scala complains with the
following error-message:
>
> Scala: *** batches not assigned to datasets ***
>
> the (relevant) header info of the input-mtz is:
>
> <quote>
> * Base dataset:
>
> 0 HKL_base
> HKL_base
> HKL_base
>
> * Number of Datasets = 1
>
> * Dataset ID, project/crystal/dataset names, cell dimensions,
wavelength:
>
> 1 Unspecified
> Unspecified
> Unspecified
> 97.7664 165.8147 288.9245 90.0000 90.0000 90.0000
1.00000
> <..snip..>
>
> * Number of Batches = 720
>
> * Column Labels :
>
> H K L M/ISYM BATCH I SIGI IPR SIGIPR FRACTIONCALC XDET YDET ROT WIDTH
> LP MPART
>
> * Column Types :
>
> H H H Y B J Q J Q R R R R R R R
>
> * Associated datasets :
>
> 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1
> </quote>
>
> the problem seems to be the dataset association. Other datasets (that
scala willingly processes) integrated identically have an association of
all columns with dataset 0; so does the same dataset when less frames
are processed.
> We tried DNAME/XNAME in mosflm and it made no difference.
> trying to fix this problem with CAD doesn't work as it does not like
unmerged files and sftools or mtzutils seem to lack the ability to edit
dataset associations.
>
> Any ideas what causes this problem?
> Any ideas how to fix the file?
>
> Thanks
>
> Jens
>
>
Pete Meyer
Fu Lab
BMCB grad student
Cornell University
