-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Eleanor,
Sorry, but I don't see how your comment answers any of my two questions. Tim On 11/17/2011 12:10 PM, Eleanor Dodson wrote: > Aaagh - you merge the POINT group!!!!! > Not the spacegroup... > > > Eleanor > > > On 11/17/2011 09:32 AM, Tim Gruene wrote: > Dear all, dear Phil, > > how can a dataset be merged if the space group is unknown? Does > pointless require the Friedel pairs present in the file, too? > > Tim > > On 11/17/2011 08:34 AM, Graeme Winter wrote: >>>> Dear Ping, >>>> >>>> You need the unmerged data for this - for instance the output from >>>> Mosflm or the XDS INTEGRATE step. Pointless works by comparing >>>> potentially symmetry related measurements. >>>> >>>> Best wishes, >>>> >>>> Graeme >>>> >>>> 2011/11/17 Ping Wang<wangping...@sina.com>: >>>>> Dear all, >>>>> I have a dataset with spacegroup undetermined. When I use POINTLESS to >>>>> determine laue group, the program gave the fatal error: HKLIN is >>>>> merged and >>>>> no HKLREF is defined, SPACEGROUP or REINDEX. >>>>> In the protocol of POINTLESS for the determination of LAUE group, >>>>> HKLREF can >>>>> be not specified. So I have no idea where the problem is. Can anyone >>>>> give me >>>>> some suggestions? >>>>> Kind regrads. >>>>> Ping >>>>> >>>>> >>>>> >>>> > - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFOxRRyUxlJ7aRr7hoRAtOOAKCn9ZMSbsW/vzAyGJzFpcaxa9wSgACgzMzz oWbJ7XMgbd5MvJzQ0tBR6bQ= =zRLp -----END PGP SIGNATURE-----
