Data from Crysalis in mtz format are not merged I think - you have to go through the scale and merge step in Scala first ...
Jan Dohnalek On Tue, Jun 26, 2012 at 11:21 PM, Steiner, Roberto < roberto.stei...@kcl.ac.uk> wrote: > Don't know where the exact problem is. However, it is definitely possible > to use a Crysalis-Scala-Truncate-Phaser pipeline without runtime errors. I > have done a few times. > I am sure you will be able to get help from Agilent people. If not, feel > free to get back to me. > > Best > Roberto > > > On 26 Jun 2012, at 18:34, <Stephen Carr> wrote: > > > Dear CCP4bb > > > > I have collected a data-set using the supernova x-ray generator from > Agilent and taken the mtz file generated by the data processing software in > crysalis pro forward for structure solution. The data collection was > straight forward and the software seemingly processed the data successfully > - space-group P2221, overall Rmerge 9%, I/sigmaI 11, redundancy 4.5 etc. > Truncate converted the intensities to structure factors with no problems, > but when I tried to use the data for molecular replacement with Phaser it > produced the following error: > > > > FATAL RUNTIME ERROR: Reflections are not a unique set by symmetry > > > > I'm not sure how to proceed from here as other programs in the suite do > not seem to detect this problem. Also when this error has been mentioned > in the past on the bb it was with a data set collected on a Bruker home > source and the data processed with Denzo/scalepack, and the suggested > solution was to use the Bruker software to process the data. > > > > I am currently attempting to reprocess the data with mosflm, but that is > likely to be the subject of another post! > > > > Any suggestions will be gratefully received. > > > > Best wishes, > > > > Steve > > > > Dr Stephen Carr > > Research Complex at Harwell (RCaH) > > Rutherford Appleton Laboratory > > Harwell Oxford > > Didcot > > Oxon OX11 0FA > > United Kingdom > > Email stephen.c...@rc-harwell.ac.uk > > tel 01235 567717 > > Roberto Steiner, PhD > Group Leader > Randall Division of Cell and Molecular Biophysics > King's College London > > Room 3.10A > New Hunt's House > Guy's Campus > SE1 1UL, London, UK > Tel 0044-20-78488216 > Fax 0044-20-78486435 > roberto.stei...@kcl.ac.uk > -- Jan Dohnalek, Ph.D Institute of Macromolecular Chemistry Academy of Sciences of the Czech Republic Heyrovskeho nam. 2 16206 Praha 6 Czech Republic Tel: +420 296 809 340 Fax: +420 296 809 410
