Ansuman, you can calculate arbitrary merging stats, including CC1/2, Rmeas from *unmerged* intensities, with a program like AIMLESS <http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html#data_from_denzo>. By default, HKL2000 (scalepack) will have output *merged* intensities, but merging is inherently lossy. All is not lost if you have access to the *.x files from DENZO and a working installation of SCALEPACK. In that case, you can prepare *unmerged* intensities with SCALEPACK’s no merge original index <http://www.hkl-xray.com/alphabetical-scalepack-keyword-documentation> keyword. Before you do, create an archive of the directory holding your *.x files. Things to keep in mind:
- SCALEPACK may use and/or overwrite an existing reject file, behavior that you can control with appropriate keywords - AIMLESS may require some non-default settings for your use case Hope that helps. Wolfram Tempel On Mon, Dec 22, 2014 at 1:52 AM, ansuman biswas <bubai_...@yahoo.co.in> wrote: Dear All, > I have the scaled output and log file (from hkl2000) of a > dataset collected at synchrotron . The log file does not have the columns > for CC1/2, CC*, Rmeas and Rpim. I do not have access to the frames. Is it > possible to obtain the requisite parameters from just the scaled and log > files? What software or server has to be used? > > regards, > Ansuman >
