Public If the large “blob” sits on a 2-fold crystallographic axis then its occupancy is ½.
So one possible interpretation is: * A cation present on the 2-fold axis, occupancy 0.5 * Waters next to the cation position, also with occupancy 0.5, even if they are not on the 2-fold: the water network / cation alternate in the lattice. Thierry On 26 May 2021, at 15:20, leo john <[email protected]<mailto:[email protected]>> wrote: Hi All: Thank You very much for the response and yes it is at symmetry axis. Distance between the bigger blob and smaller ones is approx 1.45 Ang. I have tried fitting BO3, BO4, but no luck? Thanks John On Wed, May 26, 2021 at 2:14 PM Pearce, N.M. (Nick) <[email protected]<mailto:[email protected]>> wrote: Is it on a symmetry axis? If so it could be the superposition of two molecules (a molecule and a copy of itself). On 26 May 2021, at 15:08, leo john <[email protected]<mailto:[email protected]>> wrote: Hi Group Can you please suggest what this unmodeled blob can be (see appended picture)? I have Malonate, Boric Acid and Peg in my condition, and crystals were soaked in GOL. I have tried fitting PO4 and SO4 so far. Thank You John <image.png> ________________________________ 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 Notice: This e-mail message, together with any attachments, contains information of Merck & Co., Inc. (2000 Galloping Hill Road, Kenilworth, New Jersey, USA 07033), and/or its affiliates Direct contact information for affiliates is available at http://www.merck.com/contact/contacts.html) that may be confidential, proprietary copyrighted and/or legally privileged. It is intended solely for the use of the individual or entity named on this message. If you are not the intended recipient, and have received this message in error, please notify us immediately by reply e-mail and then delete it from your system. ######################################################################## 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/
