Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-19 Thread Phoebe A. Rice
Subject: Re: [ccp4bb] Can twinning be seen in the diffraction pattern? Yes Ana, I agree although some non-merihedrals where the accident of cell dimensions mean many spots can overlap but not quite exactly can seem a bit smeary and "multiple. Meridral twins do not usually look multipl

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-17 Thread Navdeep Sidhu
PS: For a microscopically visible example in proteins, see the lovely cubic insulin interpenetrating non-merohedral twin crystallized by Madhumati Sevvana (Fig. 11a; thankfully open-access article): Madhumati Sevvana, Michael Ruf, Isabel Uson, George M. Sheldrick and Regine Herbst-Irmer.

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-17 Thread Navdeep Sidhu
Far as I understand, twins may or may not have macroscopically recognizable features. Macroscopic (and microscopic) features like face angles, reaction on etching, polarization of light, etc. can sometimes indicate twinning for at least a subset of cases, e.g. in diamond, some forms of quartz,

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-17 Thread DUMAS Philippe (IGBMC)
1911 when none of us was born. I think all of that is not just pure semantics. Am I wrong ? Philippe Dumas De: "Ana Luísa Moreira de Carvalho" À: "CCP4BB" Envoyé: Mercredi 17 Mars 2021 11:12:53 Objet: Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-17 Thread Eleanor Dodson
Yes Ana, I agree although some non-merihedrals where the accident of cell dimensions mean many spots can overlap but not quite exactly can seem a bit smeary and "multiple. Meridral twins do not usually look multiple - they are usually only revealed by the 2nd moment and other stats.. Eleanor On

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-17 Thread Ana Luísa Moreira de Carvalho
Just a short note on this: I often see colleagues using the word “twinning" when referring to a crystal that is actually multiple (not single). I think much confusion arises from this. For me, a twin crystal is the one that looks single under the microscope and only intensity statistics reveal

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-16 Thread Eleanor Dodson
You usually detect twinning most reliably from the intensity statistics - CCP4I2 and Xtriage report those.. Eleanor On Tue, 16 Mar 2021 at 07:31, Marina Gárdonyi < marina@pharmazie.uni-marburg.de> wrote: > Dear all, > > thanks to all who helped me solving the question. You sent me a lot of >

[ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-16 Thread Marina Gárdonyi
Dear all, thanks to all who helped me solving the question. You sent me a lot of comments and information I have not taken into account. After reading all the answers, I have come to the conclusion that the spots that are very close to each other come from the long cell axis (57-57-160)

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-14 Thread Nave, Colin (DLSLtd,RAL,LSCI)
: Re: [ccp4bb] Can twinning be seen in the diffraction pattern? Dear Marina, Mark seems to have hit the nail on the head. The left-hand picture of your second jpg shows that you have an axis, at about 45 degrees from the horizontal (and hence from the rotation axis), along which the spots

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-12 Thread Gerard Bricogne
Dear Marina, Mark seems to have hit the nail on the head. The left-hand picture of your second jpg shows that you have an axis, at about 45 degrees from the horizontal (and hence from the rotation axis), along which the spots are very close. These spots seem to be only just separated on that

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-12 Thread Mark J van Raaij
Hi Marina, The close-together spots in the zoom inset of your figure I think are not split spots, but separate reflections. They are close togeter because you appear to have a unit cell with one axis much longer than the other two (we work on elongated proteins, so we have some experience with

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-12 Thread Sweet, Robert
/DE Sent: Friday, March 12, 2021 8:11 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] AW: [ccp4bb] Can twinning be seen in the diffraction pattern? Dear Marina, A lot can happen with twinning andthe crystallization process does not always adhere to rules written in text books. The first thing I woul

Re: [ccp4bb] AW: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-12 Thread Navdeep Sidhu
richt- > Von: CCP4 bulletin board Im Auftrag von Marina > Gárdonyi > Gesendet: Freitag, 12. März 2021 11:31 > An: CCP4BB@JISCMAIL.AC.UK > Betreff: [ccp4bb] Can twinning be seen in the diffraction pattern? > > > Hello everyone, > > I am a PhD student at the Philipp

[ccp4bb] AW: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-12 Thread Schreuder, Herman /DE
, 12. März 2021 11:31 An: CCP4BB@JISCMAIL.AC.UK Betreff: [ccp4bb] Can twinning be seen in the diffraction pattern? Hello everyone, I am a PhD student at the Philipps-University in Marburg and I am currently writing my thesis. I have problems to understand whether in my case twinning c

Re: [ccp4bb] Can twinning be seen in the diffraction pattern?

2021-03-12 Thread Eleanor Dodson
Any twinning is due to overlapping diffraction patterns from two or more different crystal fragments. This means that the "intensity" measured is in fact the sum of two or more different I(hkl) s eg in your case* I(hkl) obs* actually equals *I(h k l ) + sc (I -h -k l)* . The diffraction can look