Hi Aaron I don’t think Pointless can do this, as it reads only “known” data items into internal arrays and then writes the data out from the internal lists. Extra unrecognised items (columns) will be ignored
I tried to see if I could do what is needed using mtzutils, but I don’t think so - there are few utitilities which deal with unmerged (multi record) mtz files I think it might be possible to do what you want using the Gemmi library, in Python or C++, but again I’m not sure whether unmerged files would be handled correctly. If that can be done, it might be easier than adding extra data items to Pointless. I’ll think more about it, but I’m about to go away for a couple of weeks best wishes Phil > On 3 Jun 2026, at 10:45, Aaron Finke > <[email protected]> wrote: > > CAUTION: This email originated from outside of the LMB: > [email protected]. > Do not click links or open attachments unless you recognize the sender and > know the content is safe. > If you think this is a phishing email, please forward it to > [email protected] > > -- > Hi, > > Can pointless output columns that are in the input mtz file but unused by > pointless? I see a list of optional columns (IPR, SIGIPR, TIME, XDET, YDET, > ROT, WIDTH, MPART, FRACTIONCALC, LP, FLAG, BGPKRATIOS, SCALE, SIGSCALE) but > what if there are columns that are not on that list? (Context: I have Laue > output data with a LAMBDA column) > > Thanks, > Aaron > > ______________________ > Aaron Finke > European Spallation Source ERIC > Instrument Data Scientist > Data Management and Software Centre > Asmussens Allé 305 > 2800 Lyngby > Denmark > Aarhus University > Adjunct Associate Professor > Department of Molecular Biology and Genetics > Protein Science > Phone: +45 25 50 39 41 > E-mail: [email protected] > > ess.eu > > 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/
