Hi Eleanor, I wonder if in fact this is the problem. I of course didn't think properly about it. The cell is the same, sort of, and I think you have put your finger on my error. It is the same data more or less, I was reprocessing a dataset, to slightly higher resolution using the same images as for the reference .mtz. The reference dataset was output from aimless (or whatever package they used) with the default a<b<c for P222 resulting in P22121 once the screw axis were analysed/applied. I thought I would then start using the reference P21212 for output where the shortest cell edge ends up being "c" instead of a with my new dataset and at the same time try using the Rfree from the older processing. Since both were input with the same cell edge order, and the subject data was re-indexed after finding the systematic absences, and aimless didn't barf, I assumed it had figured it out and applied the correct Rfree correlations, but perhaps the program was not as smart as I thought (or I was not smart). Do you think this possible missmatch could have resulted in the h, k, and l being output to 0.4 along with Rfree? Thanks for your input!
Regards Christine On Fri, Dec 17, 2021 at 2:08 PM Eleanor Dodson <eleanor.dod...@york.ac.uk> wrote: > Well - that should not happen! > Are the cell dimensions the same for the new data and the reference set? > E > > On Fri, 17 Dec 2021 at 22:04, Christine Gee <chr...@gmail.com> wrote: > >> Hi, >> >> I recently came across this strange issue. I was using aimless in CCP4 to >> scale my data and apply an Rfree from a reference .mtz >> >> Neither the reference or the file I was working with had higher >> resolution than 1.5 >> However aimless wrote out h, k, l and Rfree to 0.4. I did not click the >> button to extend resolution by the way. >> >> No big deal right? Well Coot then assumed the resolution was 0.4 and >> wrote out maps to super high resolution and everything took forever to >> render, making coot basically unuseable. >> >> I could not find any global or local parameter in coot that seemed to >> remedy this. >> >> Did anyone come across anything similar? What is the solution besides >> editing the resolution of the .mtz file output from aimless and what >> program woud you recommend for this? >> >> My simple solution for now was to use an .mtz file output from aimless >> that a reference Rfree was not applied to. >> >> Regards >> Christine >> >> >> ------------------------------ >> >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 >> > ######################################################################## 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/
