Re: [ccp4bb] a twinning question..

2024-10-08 Thread Winter, Graeme (DLSLtd,RAL,LSCI)
Since these look like diamond data I’ll note that we have just installed the updated version and will be reprocessing all data from the last run from the end of the week This may take some time but updated files will become available in Synchweb Best wishes Graeme On 8 Oct 2024, at 17:46, Elea

Re: [ccp4bb] a twinning question..

2024-10-08 Thread Gerard Bricogne
Dear Eleanor, This was all in the reply (below) that I sent to you earlier but omitted to Cc to the Bulletin. Best wishes, Gerard. - Forwarded message from Gerard Bricogne - Date: Tue, 8 Oct 2024 16:47:14 +0100 From: Gerard Bricogne Subject: Re: [ccp4bb] a twinning

Re: [ccp4bb] a twinning question..

2024-10-08 Thread Eleanor Dodson
thanks Ian - good to rediscover the wheel! E On Tue, 8 Oct 2024 at 18:28, Ian Tickle wrote: > > In that thread Clemens reported his extensive investigation of datasets > processed by XDS and found serious issues with apparent twinning. Look for > "Warning about twinning (POINTLESS)" in > https:

Re: [ccp4bb] a twinning question..

2024-10-08 Thread Ian Tickle
In that thread Clemens reported his extensive investigation of datasets processed by XDS and found serious issues with apparent twinning. Look for "Warning about twinning (POINTLESS)" in https://www.globalphasing.com/autoproc/wiki/index.cgi?ComparisonProcessing202409 . I. On Tue, Oct 8, 2024 a

Re: [ccp4bb] a twinning question..

2024-10-08 Thread Eleanor Dodson
Yes - I read that but didn't attach pseudo-twinning problems to it.. E On Tue, 8 Oct 2024 at 18:18, Ian Tickle wrote: > > Dear Eleanor > There was a whole CCP4BB thread "[ccp4bb] Problem of data reprocessing > with XDS" on this last week (started by Yimin Hu on Oct 2). > > Cheers > > -- Ian > >

Re: [ccp4bb] a twinning question..

2024-10-08 Thread Ian Tickle
Dear Eleanor There was a whole CCP4BB thread "[ccp4bb] Problem of data reprocessing with XDS" on this last week (started by Yimin Hu on Oct 2). Cheers -- Ian On Tue, Oct 8, 2024 at 6:08 PM Eleanor Dodson < 176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote: > Maybe we need the two BBs to cro

Re: [ccp4bb] a twinning question..

2024-10-08 Thread Eleanor Dodson
Maybe we need the two BBs to cross fertalise? E On Tue, 8 Oct 2024 at 17:52, Rafael Marques wrote: > Hi Eleanor, > > I have been seeing complaints about the new XDS software quite a lot, > although I do not remember exactly where. If my memory is not failing me, > it is on the phenixbb. They eve

Re: [ccp4bb] a twinning question..

2024-10-08 Thread Eleanor Dodson
I think Gerard has probably hit the jackpot. The data was sent to me by a student and here is a bit of the header: * OPENED INPUT MTZ FILE Logical Name: HKLIN Filename: 105456487_mx32736v69_xGSTPBBRETLGHA00BA54831_scaled_unmerged.mtz * Title: From XDS file SCALED_SAD_SWEEP1.HKL, XDS run on

Re: [ccp4bb] a twinning question..

2024-10-08 Thread Ian Tickle
PS you'll find a link to a description of all the twinning tests it runs on the server home page. I. On Tue, Oct 8, 2024 at 4:20 PM Ian Tickle wrote: > > Dear Eleanor > > Try submitting it to the STARANISO server? That does a whole slew of > twinning tests (so you can take your pick from some

Re: [ccp4bb] a twinning question..

2024-10-08 Thread Ian Tickle
Dear Eleanor Try submitting it to the STARANISO server? That does a whole slew of twinning tests (so you can take your pick from sometimes totally different twin fractions from the various tests!). Also it gives you the twin fraction rather than having you understand how to use the tests! But I

[ccp4bb] a twinning question..

2024-10-08 Thread Eleanor Dodson
I have always had great faith in the L test and other statistics to detect twinning.. But now I have a puzzling data set. Seems to be orthorhombic with a, b and c all different One molecule/asymm unit and no NC translation.. BUT clear indication of twinning given by second moments, etc.. I have s

[ccp4bb] pH electrodes for biological buffers

2024-10-08 Thread Jorge Iulek
Dear all, I have learned that a common Ag/AgCl electrode should not be used with solutions containing Tris (what buffer else?), proteins, some other, due to the contact of silver to these components - precipitation, I believe. I have learned a Ross type electrode can overcome this problem (du

[ccp4bb] Cryo-EM position in Oxford

2024-10-08 Thread Brandao-Neto, Jose (DLSLtd,RAL,LSCI)
Reposting for a friend. == Staff Scientist in Cryo-EM Department of Biochemistry, Dorothy Crowfoot Hodgkin Building, South Parks Road, Oxford Contract type: Permanent Hours: Full-time Closing Date & Time :   17-Oct-2024 12:00 About the role We are seeking to appoint a Staff Scienti

Re: [ccp4bb] Review: Linearity and Resolution in X-Ray Crystallography and Electron Microscopy

2024-10-08 Thread Randy John Read
Dear Marin, In crystallography we do have the information gain measure (based on Kullback-Leibler divergence) that my group put forward and implemented in our Phaser program (https://doi.org/10.1107/s2059798320001588). Signal and noise aren’t isotropic, so information gain isn’t isotropic eithe