I second martin’s suggestion.. it is not essential but it is sensible to give the lively best as the first entry then the other sets are scaled and indexed to match it.. I use ccp4i2 for this . You will get quite a voluminous report which is very helpful
Good luck Eleanor On Fri, 21 Jun 2024 at 17:26, Martin Malý <martin.maly...@email.cz> wrote: > Dear Jordi, > > For this purpose, I would use AIMLESS (you can specify a list of unmerged > data sets) or xia2.multiplex. Output log files should indicate which data > sets or images to discard - then the merging can be re-run without them. > > Best regards, > Martin > > > On 21/06/2024 16:15, Jordi Benach wrote: > > Dear Everyone, > > Suppose you have three or more datasets and would like to choose the best > combination to merge and produce a higher quality dataset. I have been > using BLEND with mixed results. Additionally, BLEND doesn’t seem to accept > datasets with several runs (i.e., a dataset where several of its frames > have been removed, see next line). > > BLEND: “crystal_flag = 2: crystal is rejected because data file is made > up of multiple runs” > > Apart from BLEND, what tools or methods do people use to achieve this? > Using CAD, SCALEIT, and/or POINTLESS should be helpful, but I haven’t found > a program that uses *them* to suggest the best dataset combination to > merge. > > Thank you in advance for your help. > > Best regards, > > Jordi > > *Jordi Benach, PhD* > LRL-CAT, Director & Head of Operations > > Sr. Director-Chemistry, DCRT > Eli Lilly and Company > > Advanced Photon Source, Argonne National Laboratory, Building 438A > > 9700 S. Cass Ave., Lemont, IL 60439 U.S.A. > <https://www.google.com/maps/search/9700+S.+Cass+Ave.,+Lemont,+IL+60439+U.S.A.?entry=gmail&source=g> > > +1 630.252.0821 (office) | +1 630.209.4264 (mobile) > > benach_jo...@lilly.com | www.lilly.com > > CONFIDENTIALITY NOTICE: This email message (including all attachments) is > for the sole use of the intended recipient(s) and may contain confidential > information. Any unauthorized review, use, disclosure, copying or > distribution is strictly prohibited. If you are not the intended recipient, > please contact the sender by reply email and destroy all copies of the > original message. > > > > > > > > > > ------------------------------ > > 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 > ######################################################################## 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/
