Re: [ccp4bb] Optimising data processing of a I432 dataset with 75% solvent content.

2017-05-19 Thread Kay Diederichs
Dear Michael, as said in this thread, careful re-integration (or other programs) might give you better data. If using XDS, you could try RELRAD=7 (or even 10 if the background is very low; the default is 5) in INTEGRATE (this as yet undocumented option is in the latest XDS and determines the r

Re: [ccp4bb] Optimising data processing of a I432 dataset with 75% solvent content.

2017-05-18 Thread Clemens Vonrhein
Dear Michael, throwing a few other suggestions into the mix (on top of the good advice you got already from Graeme and Phil): * The low resolution I/sigI is quite large and although we have seen such values for extremely good crystals collected very carefully on very good instruments, it i

Re: [ccp4bb] Optimising data processing of a I432 dataset with 75% solvent content.

2017-05-18 Thread Keller, Jacob
CP4BB@JISCMAIL.AC.UK] On Behalf Of Michael Jarva Sent: Thursday, May 18, 2017 7:48 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Optimising data processing of a I432 dataset with 75% solvent content. Dear all, I have a dataset that have two very interesting properties: a) It's in I432, an

Re: [ccp4bb] Optimising data processing of a I432 dataset with 75% solvent content.

2017-05-18 Thread Phil Evans
It is puzzling that in the high res shell (to 3.1A) CC(1/2) is 0.533 (OK), but I/sigI is 0.1 (v low). Is the SDcorrection (SDFAC, SDADD) sensible (and “Analysis of standard deviations vs. intensity”)? In Aimless the determination of SDFAC and SDADD sometimes go haywire - with high multiplicity y

Re: [ccp4bb] Optimising data processing of a I432 dataset with 75% solvent content.

2017-05-18 Thread Graeme Winter
Hi Michael What integration program did you use? Different programs can sometimes give rather different results with very weak data. I'd try everything to see if one is better than the others. It's also worth making sure you are up to date. Certainly there are recent changes in xds and dials t

[ccp4bb] Optimising data processing of a I432 dataset with 75% solvent content.

2017-05-18 Thread Michael Jarva
Dear all, I have a dataset that have two very interesting properties: a) It's in I432, and b) has a whooping 75% solvent content. You might think that the solvent content obviously is a big red flag, and so did I, but I have phased this successfully with just one monomer, and the packing result