Sure thing. A former student left somewhere between 30-50 datasets but they scaled the data to the detector corners (or maybe edge) in HKL2000. There are many of the high-resolution bins with no reflections in them. He then went forward and merged this data, presumably in HKL2000 again and did his model building/refinement. We now need to re-refine the models against this data for publication but we need a more suitable resolution cutoff for the data.
Rather than go back and index/integrate all the data and then rescale the data to a more appropriate place (then merge), I was wondering if there was a way to take the merged reflections as either .sca or .mtz (from scalepacktomtz output) and then rescale to a more appropriate resolution. It doesn't seem like the student left unmerged data. So, nothing fancy (aniostropy etc), there is just a lot of data that needs to be adjusted and I am trying to avoid reprocessing all the frames again. Matt On Wed, 17 Apr 2024 at 15:59, Hekstra, Doeke Romke < doeke_heks...@harvard.edu> wrote: > Hi Matt, > > It would be helpful if you could describe your case in more detail. Do you > want to change the resolution cutoff after scaling? Do you want to keep > more data? Fewer? Or do you mean something different such as truncation to > generate amplitudes, application of anisotropic resolution cutoffs, or > outlier rejection? Are you referring to data that were scaled in HKL2000? > > Best, Doeke > > -----Original Message----- > From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> On Behalf Of Matt McLeod > Sent: Wednesday, April 17, 2024 3:04 PM > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp4bb] Rescale merged data? > > Hi all, > > I am looking at a old students data and it looks like they didn't properly > cut off the data during scaling. All of the files I have appear to be the > merged .sca (or mtz after converting with scalepacktomtz) - is there a way > to retruncate the data after merging or do I have to reprocess the data? > > Thanks, > > ######################################################################## > > 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/ > -- *Matthew Jordan McLeod, PhD* *Post-Doctoral Fellow - Cornell University* ######################################################################## 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/
