Re: [ccp4bb] Twin law definition in REFMAC5

2020-07-08 Thread Andrey Lebedev
Dear Petr Both questions, on twin law and R-factors, are mainly questions about definitions and standards. From Online Dictionary of Crystallography: "The twin law is the SET of twin operations mapping two individuals of a twin." In your P 21 21 21 example with a=b, the set contains four oper

Re: [ccp4bb] Twin law definition in REFMAC5

2020-07-06 Thread Petrus Zwart
tr Kolenko > Cc: CCP4BB@jiscmail.ac.uk > Subject: Re: [ccp4bb] Twin law definition in REFMAC5 > > Is that twin law possible? Presumably the cell lengths for b and c are > close but you are swapping a 2fold axis along c for a 21 axis along b? > Eleanor > > On Tue, 7 Jul 2020

Re: [ccp4bb] Twin law definition in REFMAC5

2020-07-06 Thread Petr Kolenko
u for your response, Petr From: Eleanor Dodson Sent: Tuesday, July 7, 2020 7:08:44 AM To: Petr Kolenko Cc: CCP4BB@jiscmail.ac.uk Subject: Re: [ccp4bb] Twin law definition in REFMAC5 Is that twin law possible? Presumably the cell lengths for b and c are clos

Re: [ccp4bb] Twin law definition in REFMAC5

2020-07-06 Thread Eleanor Dodson
Is that twin law possible? Presumably the cell lengths for b and c are close but you are swapping a 2fold axis along c for a 21 axis along b? Eleanor On Tue, 7 Jul 2020 at 05:36, Petr Kolenko wrote: > Dear colleagues, > I have a crystal with space group P21212 and merohedral twinning according >

[ccp4bb] Twin law definition in REFMAC5

2020-07-06 Thread Petr Kolenko
Dear colleagues, I have a crystal with space group P21212 and merohedral twinning according to "-h, l, k" twin law. If I click "twin" in the interface, REFMAC5 recognizes a different twin law and does not refine the structure properly. Is there a way to tell REFMAC5 the proper twin law? I tried