Dear Nishant, XDS_ASCII.HKL contains corrected, scaled, but not merged reflections. You can specifically ask XDS to merge your data, but I would not do so unless really necessary - you loose a lot of information.
I would like to offer a different opinion to Graeme's: You can read XDS_ASCII.HKL into pointless and aimless and provide aimless with the option 'onlymerge'. This way aimless merges the data, but it does not rescale them. XDS performs a couple of corrections in the CORRECT step, the output of which is XDS_ASCII.HKL. And while XDS is extremely well documented, I am not sure aimless takes into account how XDS treats the data. I would therefore trust the step of scaling to the same author and continue with XDS_ASCII.HKL. Best, Tim On Monday, November 21, 2016 11:37:15 AM Nishant Varshney wrote: > Dear All, > > Just to understand more, the XDS_ASCII.HKL file generated after running XDS > contains scaled and merged reflections? > > Moreover, what happens exactly, if you use XDS_ASCII.HKL file in AIMLESS > instead of INTEGRATE.HKL file?? > > I ran AIMLESS separately, one using already scaled XDS_ASCII.HKL and > another using INTEGRATE.HKL and I found that in the run using XDS_ASCII.HKL > little lesser total number of observation but marginally better statistics. > > Thanks > Nishant > > On Thu, Nov 17, 2016 at 10:08 PM, Andreas Forster <docandr...@gmail.com> > > wrote: > > Dear Wei, > > > > if you process your data with XDS, the best is probably to do the scaling > > in XDS (CORRECT) and be done with it. If you want to use Aimless for > > merging, you can turn off scaling with the ONLYMERGE keyword or use SCALES > > CONSTANT. > > > > All best. > > > > > > Andreas > > > > On Thu, Nov 17, 2016 at 9:40 PM, Wei Wang <ww2...@columbia.edu> wrote: > >> Hi, > >> > >> Is there a way to let xds_par use less than all processors/threads on the > >> machine? Sometimes I would like to process something else while XDS is > >> running. > >> > >> Another question is related to the scaling procedure. My understanding is > >> that the XDS already does the scaling during correction. So if I follow > >> the > >> XDS-Aimless route, then probably I should let Aimless do "skip scaling > >> and > >> only merge"? Please elucidate me on this issue. > >> > >> Regards, > >> > >> Wei > > -- > Dr. Nishant Kumar Varshney, > IISc-ICTP Fellow > XRD2 Beamline, Elettra-Sincrotrone, > In Area Science Park, > Basovizza, S.S. 14, Km 163,5, > 34012 Trieste, Italy > +39-040-375 8737 (office ESP4 P1 031) > +39-040-375-8435 (XRD2 beamline) > +39 3318809798 (Mobile) -- -- Paul Scherrer Institut Dr. Tim Gruene - persoenlich - Principal Investigator Biology and Chemistry OFLC/102 CH-5232 Villigen PSI Phone: +41 (0)56 310 5297 GPG Key ID = A46BEE1A
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