Re: [ccp4bb] Strange Pseudosymmetry Effects

2020-05-29 Thread John R Helliwell
logo] > > Heisenberg was probably here! > > > > > > > > *From:* CCP4 bulletin board *On Behalf Of *James > Holton > *Sent:* Thursday, May 28, 2020 11:34 AM > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* Re: [ccp4bb] Strange Pseudosymmetry Effects > > >

Re: [ccp4bb] Strange Pseudosymmetry Effects

2020-05-29 Thread Harry Powell - CCP4BB
Hi Tim You could send out an SOS to some of the other authors in the same issue, who might have kept a copy - several are “regular" posters on this forum, e.g. Sacha Urzhumtsev Gerard Kleywegt Eleanor Dodson There’s a good chance they’ll be stuck at home at the moment

Re: [ccp4bb] Strange Pseudosymmetry Effects

2020-05-28 Thread Tim Gruene
tin board On Behalf Of James > Holton Sent: Thursday, May 28, 2020 11:34 AM > To: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] Strange Pseudosymmetry Effects > > Be careful with electron diffraction and apparent absence violations. > It is possible these weak spots are simply due t

Re: [ccp4bb] Strange Pseudosymmetry Effects

2020-05-28 Thread Edward Snell
lo.edu<mailto:esn...@hwi.buffalo.edu> Webpage: https://hwi.buffalo.edu/scientist-directory/snell/ [hwilogo] Heisenberg was probably here! From: CCP4 bulletin board On Behalf Of James Holton Sent: Thursday, May 28, 2020 11:34 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Strange Pseudosymm

Re: [ccp4bb] Strange Pseudosymmetry Effects

2020-05-28 Thread James Holton
Be careful with electron diffraction and apparent absence violations. It is possible these weak spots are simply due to multiple scattering.  If so, you would see them relatively stronger with larger crystals,but much weaker relative to the strong reflections when the crystal is smaller. Do

Re: [ccp4bb] Strange Pseudosymmetry Effects

2020-05-28 Thread Eleanor Dodson
Yes - in P1 if you have two molecules approximately related by X y z. And x+ 1/2 y z say then the spots along the axis a* will have h=2n weak. And the sections with h even will have very weak spots. If you calculate a Patterson for the data there will be a strong peak st 1/2, 0,0. But you say

Re: [ccp4bb] Strange Pseudosymmetry Effects

2020-05-27 Thread Ethan A Merritt
On Wednesday, 27 May 2020 18:49:23 PDT Jessica Bruhn wrote: > Hello, > > I am wondering if pseudosymmetry can cause weak reflections that mimic the > doubling of one unit cell axis' length. Has anyone seen something like this > before? Yes. > I am processing data from a small molecule sample

Re: [ccp4bb] Strange Pseudosymmetry Effects

2020-05-27 Thread Petrus Zwart
Hi Jessica, If you see spots and they fit a lattice, you should use them. Use the b=10 solution in P1 that you have with 3 models (or two if one is iffy) and use that as a start model for MR in b=20 and start searching for the rest. Alternatively, use the b=10 model with stuff that looks decent

[ccp4bb] Strange Pseudosymmetry Effects

2020-05-27 Thread Jessica Bruhn
Hello, I am wondering if pseudosymmetry can cause weak reflections that mimic the doubling of one unit cell axis' length. Has anyone seen something like this before? I am processing data from a small molecule sample collected with electron diffraction from multiple crystals. For the b axis, it