Re: [ccp4bb] HKL2000 sigma cutoff

2013-07-07 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Ursula, in your first email you wrote that you were confused by [...] HKL2000 for scaling, and in this email you wrote that your fix is to scale the data with scalepack. In my understanding scalepack is part of HKL2000 - - would you mind

Re: [ccp4bb] HKL2000 sigma cutoff

2013-07-07 Thread Jim Pflugrath
I wonder if the rejects file had a large number of reflections in it in one case, but not in the other case. One can be playing with various options and create or add to such a large list. That's why there is the Delete Reject file option. Jim From:

Re: [ccp4bb] ctruncate bug?

2013-07-07 Thread Ian Tickle
On 29 June 2013 01:13, Douglas Theobald dtheob...@brandeis.edu wrote: Just because the detectors spit out positive numbers (unsigned ints) does not mean that those values are Poisson distributed. As I understand it, the readout can introduce non-Poisson noise, which is usually modeled as

[ccp4bb] help identifying ligand

2013-07-07 Thread Edward A. Berry
In a structure I'm refining, there are a couple of oblong blobs associated with carboxylates. (screenshots at http://sb20.lbl.gov/berry/ccp4/azide/) If I modeled with two waters, they refine too close together for normal H-bond, 2.3 to 2.5 A; and their density is connected. I considered one

Re: [ccp4bb] help identifying ligand

2013-07-07 Thread Singh, Harkewal
Ed, Is there any chance that you might have ethylene glycol present in the condition? If so, that might work. Sincerely, Harkewal Singh On Jul 7, 2013, at 3:21 PM, Edward A. Berry wrote: In a structure I'm refining, there are a couple of oblong blobs associated with carboxylates.