This helps! Thanks a lot! Lada
On Wed, Mar 26, 2014 at 6:38 PM, Bjørn Panyella Pedersen <[email protected] > wrote: > If you just want to ensure that Friedel pairs are not merged, using > FRIEDEL'S_LAW= FALSE is all you need to do. > > "MERGE= FALSE" is not really compatible with the mtz file format, as I > understand it, and the keyword is ignored when converting to mtz. > > See the XDS manual for more details: > http://xds.mpimf-heidelberg.mpg.de/html_doc/xdsconv_parameters.html#MERGE= > > hth > -Bjørn > > -- > Bjørn Panyella Pedersen > Macromolecular Structure Group > University of California, San Francisco > > > On 03/26/2014 01:39 PM, Lada Sycheva wrote: > >> Dear CCP4BB users, >> >> I am trying to convert the XDS_ASCII.HKL file to ccp4 format using >> XDSCONV in such a way that Friedel pairs are not merged. So, the script >> for running of XDSCONV includes "FRIEDEL'S_LAW= FALSE", "MERGE= FALSE". >> However, the resulting .mtz file contains only small fraction of initial >> number of reflections and, for some reason, they are merged. >> >> Here is the excerpt of the XDSCONV.LP: >> >> NUMBER OF REFLECTION RECORDS ON INPUT FILE 26833 >> NUMBER OF IGNORED REFLECTIONS (I< -3.0*SIGMA) 0 >> NUMBER OF REFLECTIONS ACCEPTED FROM INPUT FILE 7085 >> >> NUMBER OF UNIQUE REFLECTIONS ASSIGNED TO TEST SET 0 >> NUMBER OF UNIQUE TEST REFLECTIONS INHERITED 0 >> NUMBER OF UNIQUE TEST REFLECTIONS NEWLY GENERATED 0 >> >> NUMBER OF REFLECTION RECORDS ON OUTPUT FILE 3985 >> NUMBER OF RECORDS ASSIGNED TO WORKING SET 3985 >> NUMBER OF RECORDS ASSIGNED TO TEST SET 0 >> >> Here are all the input/output files and script itself: >> https://drive.google.com/folderview?id=0B_fdXISt5zjYVnptdEgzcVphR00&usp= >> sharing >> >> Any advice on how to make XDSCONV accept all the reflections and to not >> merge them will be highly appreciated! >> >> Lada Sycheva >> >> Postdoctoral research fellow >> Springer lab >> BCH/HMS >> >> >> >> >> >> > > >
