Could you attach the pointless and aimless logs? On Tue, 27 May 2025 at 07:14, Janani Ganesh <jganesh3...@gmail.com> wrote:
> Hello, > > I recently collected diffraction data and I was able to do the data > processing upto 1.88 Å. I observed the R-merge remained the same throughout > the resolution bins. I could solve the structure using Phaser in the space > group P32 2 1 (no. 154). But when I refined the structure the R-factors > remained ~ 35 % even after several cycles of refinement and model building. > > Then I looked for twinning in my data using Xtriage, Detwin, Pointless, > etc which indicated twining. Subsequently, I started twin refinement with > Refmac using twin law (-h, -k, l). The R-factors came down to ~25%. > However, the B-factors refined to 0.5 for all the atoms. I tried redoing > the data processing at lower symmetry space groups, P3, P31, P32, followed > by twin refinement but the issue with the B-factors persisted. > > I would appreciate any suggestions and advice towards resolving this > problem. > > Regards, > Janani Ganesh > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a > mailing list hosted by www.jiscmail.ac.uk, terms & conditions are > available at https://www.jiscmail.ac.uk/policyandsecurity/ > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
