Re: [ccp4bb] doubt regarding setting resolution cutoff

2017-08-10 Thread Harry Powell
Hi Satvik One thing I don't understand is why there are no dips in your plot for an ice ring around 3.6Å - for hexagonal ice it should be about as strong as the ring at 2.25Å. It would be very useful to actually see the images to try to work out what the real issue is. I think it would be

Re: [ccp4bb] doubt regarding setting resolution cutoff

2017-08-09 Thread Harry Powell
Hi again I've just been looking through the Mosflm source code - in your case the limits you have set (if they worked, but because of a bug they don't) would exclude considerably more data than the default values in Mosflm, so I would be inclined to use the "exclude ice rings during

Re: [ccp4bb] doubt regarding setting resolution cutoff

2017-08-09 Thread Harry Powell
Hi > I had processed the images using iMOSFLM. The option of “automatic ice and > powder ring exclusion” was toggled ON when I processed the data. It is only > now I realize that this is not the way to get rid of ice rings. > This is due to the exclusion limits being set too conservatively for

Re: [ccp4bb] doubt regarding setting resolution cutoff

2017-08-09 Thread Eleanor Dodson
How & where are your data collected? Eleanor On 9 August 2017 at 13:17, Satvik Kumar wrote: > Dear All, > > > Thank you all for your inputs. > > > You are all correct. The diffraction images have ice rings at 3.67, 2.24 > and 1.9 Å. The intensity of these ice rings

Re: [ccp4bb] doubt regarding setting resolution cutoff

2017-08-08 Thread Eleanor Dodson
You have some horrible ice rings - some data processing software may be able to cut them out.. how are you processing it? Eleanor On 8 August 2017 at 15:43, Christian Roth wrote: > Your plots look strangely different to the old Scala output you posted > before, but

Re: [ccp4bb] doubt regarding setting resolution cutoff

2017-08-08 Thread Christian Roth
Your plots look strangely different to the old Scala output you posted before, but never mind. Paul is right that a negative intensity is not desired and your crystal has some issues with ice. That one icering around 2.26 must be massive taken into account how haywire your curve goes there.

Re: [ccp4bb] doubt regarding setting resolution cutoff

2017-08-08 Thread Paul Emsley
On 08/08/2017 15:07, Satvik Kumar wrote: Dear Prof. Powell and Prof. Dodson, Thanks for your reply and advise. As per your suggestion, I have re-scaled the intensities using Aimless at 1.861 A. I observe that the I/sigI has dropped to -0.8 That's not good. > and the behaviour of CC_1/2

Re: [ccp4bb] doubt regarding setting resolution cutoff

2017-08-07 Thread Eleanor Dodson
First comment - your data looks excelent - even to 1.8A. Second - look also at the wilson plot and second moment plots - these should not be jerky - wilson plot falling off smoothly, 2nd moment pretty constant to the good resolution limit.. Thirdly - just use all your data and check the

Re: [ccp4bb] doubt regarding setting resolution cutoff

2017-08-04 Thread Harry Powell
Hi Satvik If you're only just starting out, the first thing I would recommend is that you forget all about Scala! It's been effectively obsolete for 5-6 years, and any bugs that exist in it will not be fixed. It was replaced by Aimless a long time ago; Aimless is much faster than Scala and