Nick Sauter wrote on CCP4BB on Aug 25, 2011: I'd like to get any feedback from the community...the following feature was added to Labelit in March 2011 :
After indexing the images with LABELIT it is possible to write out an XPARM.XDS file that defines the unit cell, orientation, and beam parameters. For example, index an image first:
labelit.index lysozyme_001.img --index_only
This gives several possible Bravais lattice solutions...e.g. triclinic=1; tetragonal=9. Suppose you want XDS parameters for the tetragonal setting:
That outputs the XPARM.XDS file.