Re: [ccp4bb] Spacegroup choices, reindexing and so on

2008-01-21 Thread Anastassis Perrakis
tware without that bug, though of course the alternatives may well have different bugs!). Cheers -- Ian -Original Message- From: Pietro Roversi [mailto:[EMAIL PROTECTED] Sent: 21 January 2008 11:10 To: Ian Tickle Subject: Re: [ccp4bb] Spacegroup choices, reindexing and so on Dear Ian,

Re: [ccp4bb] Spacegroup choices, reindexing and so on

2008-01-21 Thread Ian Tickle
!). Cheers -- Ian > -Original Message- > From: Pietro Roversi [mailto:[EMAIL PROTECTED] > Sent: 21 January 2008 11:10 > To: Ian Tickle > Subject: Re: [ccp4bb] Spacegroup choices, reindexing and so on > > Dear Ian, > I would agree with everyhtin

Re: [ccp4bb] Spacegroup choices, reindexing and so on

2008-01-21 Thread Ian Tickle
Message- > From: Manfred S. Weiss [mailto:[EMAIL PROTECTED] > Sent: 21 January 2008 11:13 > To: Ian Tickle > Cc: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] Spacegroup choices, reindexing and so on > > > Dear Ian, > > I thought that in cases of for instance P

Re: [ccp4bb] Spacegroup choices, reindexing and so on

2008-01-21 Thread Eleanor Dodson
: [ccp4bb] Spacegroup choices, reindexing and so on Dear Graeme, here is what I would do, or what I would like to have. If you are able to identify the Laue group of the data with some degree of certainty, then all of the processing and scaling should be carried out in this Laue group. Then, by

Re: [ccp4bb] Spacegroup choices, reindexing and so on

2008-01-21 Thread Manfred S. Weiss
[mailto:[EMAIL PROTECTED] On Behalf Of Manfred S. Weiss > > Sent: 21 January 2008 09:34 > > To: Winter, G (Graeme) > > Cc: CCP4BB@JISCMAIL.AC.UK > > Subject: Re: [ccp4bb] Spacegroup choices, reindexing and so on > > > > Dear Graeme, > > > > here is what

Re: [ccp4bb] Spacegroup choices, reindexing and so on

2008-01-21 Thread Ian Tickle
Of Manfred S. Weiss > Sent: 21 January 2008 09:34 > To: Winter, G (Graeme) > Cc: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] Spacegroup choices, reindexing and so on > > Dear Graeme, > > here is what I would do, or what I would like to have. > > If you are able

Re: [ccp4bb] Spacegroup choices, reindexing and so on

2008-01-21 Thread Manfred S. Weiss
Dear Graeme, here is what I would do, or what I would like to have. If you are able to identify the Laue group of the data with some degree of certainty, then all of the processing and scaling should be carried out in this Laue group. Then, by looking at systematic absences you may give probabil

[ccp4bb] Spacegroup choices, reindexing and so on

2008-01-21 Thread Winter, G (Graeme)
Hi All, A user question about the xia2 behaviour has opened a pot of worms, and I thought I would ask the community for opinions. If (for example) you are using an automated data processing or analysis tool, and the systematic absences suggest a spacegroup choice, what would you like to do: (1) n