I agree too! Martyn
On Fri, 2007-11-09 at 13:54 +0000, Phil Evans wrote: > I agree > > On 9 Nov 2007, at 13:50, Eleanor Dodson wrote: > > > As I often say!!! The mtz format should carry point group and > > alternate SGs - then be upgraded when youknow the correct SG.. > > > > Eleanor > > > > Phil Evans wrote: > >> It just picks the first in the list, to store in the output MTZ > >> file, which can only handle one (92 < 96) > >> Phil > >> > >> > >> On 8 Nov 2007, at 22:26, Bryan W. Lepore wrote: > >> > >>> when pointless (1.2.0) finds enantiomorphic SG's, what is the > >>> criterion for 'Selecting' one over the other? > >>> > >>> e.g. i ran pointless on some tetragonal data, and the > >>> enantiomorphs SG92/SG96 are selected as strong candidates > >>> > >>> Spacegroup TotProb SysAbsProb Reindex > >>> Conditions > >>> <P 41 21 2> ( 92) 0.956 0.956 00l: > >>> l=4n, h00: h=2n (zones 1,2) > >>> <P 43 21 2> ( 96) 0.956 0.956 00l: > >>> l=4n, h00: h=2n (zones 1,2) > >>> > >>> ... then pointless reports : > >>> > >>> Selecting space group P 41 21 2 as solutions are enantiomorphic > >>> Best Solution space group P 41 21 2 > >>> > >>> ... is that b/c pointless can only report one, and SG92 came up > >>> first? > >>> > >>> -bryan > >> > >> > > -- *********************************************************************** * * * Dr. Martyn Winn * * * * STFC Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K. * * Tel: +44 1925 603455 E-mail: [EMAIL PROTECTED] * * Fax: +44 1925 603825 Skype name: martyn.winn * * URL: http://www.ccp4.ac.uk/martyn/ * ***********************************************************************
