Hi Tim, That's interesting. When I looked at this (and I would say I looked reasonably carefully) I found it only made a difference in the scaling - integrating across the whole area was fine. However, I would expect to see a difference, and likely an improvement, in scaling only the data you want. It would also give you sensible merging statistics which you'll probably want when you come to publish or deposit.
Abd Ghani: if you'd like to rerun the processing at Diamond to a chosen resolution limit I will be happy to send some instructions. That's probably a good idea. Best wishes, Graeme On 19 March 2012 14:31, Tim Gruene <t...@shelx.uni-ac.gwdg.de> wrote: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > Dear Abd Ghani, > > The method described by Graeme is how the resolution can be delimited > artificially. > If you want to get the best from your data, determine the resolution > limit of your data e.g. with pointless (I/sigI > 2.0 is a good marker) > and reprocess the data to that limit. If you integrate the whole > detector area and the outer parts contain only noise, the noise has a > negative effect on the real data. > > Tim > > On 03/19/12 15:25, Graeme Winter wrote: >> ... presuming of course the automated software got this resolution limit >> right. >> >> If for whatever reason you would like to cut the limit mtzutils will >> do this nicely: >> >> mtzutils hklin blah_free.mtz hklout blah_lower.mtz << eof >> resolution 1.8 >> eof >> >> (say) - I am sure there are other ways within the suite to do this. >> >> Best wishes, >> >> Graeme >> >> >> On 19 March 2012 14:21, Eleanor Dodson <eleanor.dod...@york.ac.uk> wrote: >>> Qs >>> >>> 1) Why do you want to limit your data? >>> >>> Most applications allow you to only use a specified sub-set - see GUI tasks >>> for "resolution limits". >>> >>> In general you may want to run moleculer replacement or exptl phasing at a >>> limited resolution, but for refinenement or phase extension it is good to >>> use the whole range.. >>> >>> Eleanor >>> >>> >>> On Mar 19 2012, Abd Ghani Abd Aziz wrote: >>> >>>> hello everyone, >>>> >>>> I am new in this bulletin board. I would like to know on how to cut my >>>> resolution in my datasets that have been processed/produced in diamond >>>> light >>>> source. In my processed directory, I found there are 3 files (free.mtz, >>>> scaled.sca and unmerged.sca). May I know which one can be used to cut my >>>> data that was diffracted to 1.5A? Cheers >>>> >>>> regards >>>> Abd Ghani >>>> The University of Sheffield >>>> >>> >>> -- >>> Professor Eleanor Dodson >>> YSNL, Dept of Chemistry >>> University of York >>> Heslington YO10 5YW >>> tel: 00 44 1904 328259 >>> Fax: 00 44 1904 328266 >> > > - -- > - -- > Dr Tim Gruene > Institut fuer anorganische Chemie > Tammannstr. 4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A > > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.12 (GNU/Linux) > Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ > > iD8DBQFPZ0MfUxlJ7aRr7hoRAgysAKDwEYp5QK8l1ggcjNWeGDqfHHfMnQCfRVrZ > 9kR9Pkg0bkZsHFQDSsI5QFU= > =mn05 > -----END PGP SIGNATURE-----
