Re: [ccp4bb] Twinned Data - more information

2012-10-23 Thread Eleanor Dodson
Or put all files into pointless.. It will read XDS and do the indexing checks Eleanor On 19 Oct 2012, at 12:45, vellieux wrote: > Well, the first thing I note is that P6(3) is a polar space group. > > Hence what I would do myself is the following: > > take your crystal 'number 1' (as a referen

Re: [ccp4bb] Twinned Data - more information

2012-10-20 Thread Kay Diederichs
Dear Iris, just to add to Fred's posting: since XDS Version June 2, 2008 re-indexing is no longer necessary if REFERENCE_DATA_SET is used - XDS then does the re-indexing automatically in the CORRECT step. This makes it very easy to avoid the problem of alternative indexing in space groups like

Re: [ccp4bb] Twinned Data - more information

2012-10-19 Thread vellieux
Well, the first thing I note is that P6(3) is a polar space group. Hence what I would do myself is the following: take your crystal 'number 1' (as a reference); take the results of XDS for crystal number 2 (XDS_ASCII.HKL) and reindex it; try to see which of the original XDS_ASCII or the reinde

[ccp4bb] Twinned Data - more information

2012-10-19 Thread Iris Gawarzewski
Hello everybody, I collected datasets with a resolution to 2.8A from 3 crystal grown in the same condition. The space group seems to be P63. Statistic of XSCALE.LP SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF RESOLUTION RESOLUTION NUMBER OF REFLECTIONSCOMPLETENESS