Hi Prasun, As others have pointed out, the higher the multiplicity, the better, so I would be happy about it and not worry. Concerning the higher Rwork in the inner shell, what are the resolution limits of this shell? Are there any ice-rings within these resolution limits? Otherwise I would check if there are no overloaded reflections in your data set, since a few rogue strong reflections may wreak havoc on your Rfactors.
Best, Herman Von: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> Im Auftrag von Prasun Kumar Gesendet: Montag, 19. September 2022 20:30 An: CCP4BB@JISCMAIL.AC.UK Betreff: [ccp4bb] Multiplicity is more than 20 Hi All: I have collected a dataset for a crystal of a 30 residues long helical peptide that makes a trimer in the solution. I also solved the structure to get a trimer. My issues start when I start preparing for a deposition. Details about the data: space group: I 21 3 Resolution: 1.6 Current Rfree/ Rwork: 0.21/0.19 Problems: According to Aimless, Multiplicity: 33.9, and I understand that the value should be less than or equal to 20. Does it mean that I have a lot of random noise or ice rings or something similar? For the inner shell, R work is also higher than R free. Please guide me in solving the above issue. Thank You Prasun ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1<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/
