Hi Matt, you cite the message "WARNING: There are only 40 < 50 free reflections ..." but in the next sentence you write "This error ...".
Being a program developer myself, I'd like to point out that there is a difference between a warning and an error. An error typically makes the program stop, whereas after a warning a program typically continues. Does PAIREF actually stop? If not, I'd expect the results of the PAIREF to be still useful. However, the message suggests to use wider bins, not just 0.05A, and you could try 0.1A instead, and if that stills give a warning, 0.2A. So just re-run the job with adjusted shell widths, as the warning suggests. What I don't quite understand is that the DIALS statistics lists 1524 unique reflections from 2.69 to 2.77A, so I'd expect roughly 1000 reflections in the 2.70-2.75A shell, and if 10% of these are used for Rfree, I'd expect about 100, not 40 free reflections. Best wishes, Kay ######################################################################## 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/
