Thinking further about this, Aimless essentially would need to be run twice to do automatic resolution cutoff. I could make it an internal loop to essentially it twice, I suppose. But in I2 my preferred method is to use the “information content” from Phaser as the metric for resolution
Phil > On 16 Jun 2023, at 09:08, Nichols, Charlie <charles.nich...@crl.com> wrote: > > > CAUTION: This email originated from outside of the LMB. > Do not click links or open attachments unless you recognize the sender and > know the content is safe. > .-owner-ccp...@jiscmail.ac.uk-. > > Hi, > > I want to reprocess a large batch of mtz files from Dials using Aimless and > cut the resolution so the outer-shell I/sigI is >=1.0 > I also want them to be consistently indexed so want to specify ‘Match index > to reference’ and provide a reference mtz with IMEAN used as the label for > index matching. > > > So, Firstly: > I am running Aimless from command line with scripts. Is there a way to > specify auto-setting of data output resolution cutting to a specific > outer-shell I/sigI value? > • At present I’ve just been cutting the resolution back by 0.15A and > grepping the I/sigI values. This mostly moves them to >=1 with a small set of > high-anisotropy data where I need to examine the scaling logfile and apply a > further cut > > > Secondly: > How do I specify an indexing reference file from the command line – Aimless > documentation only seems to cover Scaling to reference not indexing to > reference > > > Thanks for your help, > Take care, Charlie. > > > > > 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/
