Re: [ccp4bb] discontinuous data wedges in XDS

2008-04-30 Thread Stephen Graham
Hi Bert, xia2 is your friend in cases like this. This program is a real boon for the lazy crystallographer. All you need to type is: xia2 -3d /path/to/images and xia2 will automagically index, integrate and scale all of the sweeps together. Add the "-atom Se" flag (atom name as appropriate)

Re: [ccp4bb] discontinuous data wedges in XDS

2008-04-30 Thread Kay Diederichs
Klaus Futterer schrieb: Is it not sufficient to first integrate the one wedge, then use this wedge as a reference data set when integrating the second one? (REFERENCE_DATA_SET= ../wedge01/XDS_ASCII.HKL) Klaus no, the REFERENCE_DATA_SET (first wedge of data) would then not be merged with the

Re: [ccp4bb] discontinuous data wedges in XDS

2008-04-30 Thread Klaus Futterer
Is it not sufficient to first integrate the one wedge, then use this wedge as a reference data set when integrating the second one? (REFERENCE_DATA_SET= ../wedge01/XDS_ASCII.HKL) Klaus - Klaus Fütterer,

Re: [ccp4bb] discontinuous data wedges in XDS

2008-04-29 Thread Juergen Bosch
You can integrate them as separate wedges (in different directories), then later merge them (XDS_ASCII.HKL) in Xscale. Make sure though you have the orientation right and starting angles etc. You'll have to first refine one wedge, then once you are happy with it copy the GXPARM.XDS into the othe

[ccp4bb] discontinuous data wedges in XDS

2008-04-29 Thread Van Den Berg, Bert
Hi all, is it possible to input discontinuous data wedges into XDS (obtained from for example inverse beam sweeps)? (So wedge se1 goes from 0-90 deg (image 1-90), se2 from 180-270 (image 1-90), etc). Or do I have to rename everything so that I get one data file in which the rotation ranges are