*** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.ccp4.ac.uk ***
Dear Jens, Do you use the GUI to start scala? You must provide a dataset name in the "define output datasets" box... Flip -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Jens T Kaiser Sent: Tuesday, 25 April, 2006 1:04 To: [email protected] Subject: [ccp4bb]: data set assignement *** For details on how to be removed from this list visit the *** *** 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
