On Tue, 1 Mar 2022 18:06:34 +0800, fu <fuxingke0...@163.com> wrote: >Dear Colleagues, > I have two question. > The first question is, in SHELXD, they use XPREP to calculate the > correlation coefficient(CCano) between the signed anomalous differences at > different wavelengths? What’s the meaning? And how to calculate it? The > reference is 《Schneider, T.R. & Sheldrick, G.M. (2002). "Substructure > Solution with SHELXD", Acta Crystallogr. D58, 1772-1779》 > ...
Hello Fu, SHELXD uses data that may come from XPREP or SHELXC (or other programs). SHELXC is available as part of CCP4 (like SHELXD) and has part of the functionality of XPREP; XPREP however is not free. SHELXC (or other programs) calculate CCano. Please see https://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php?title=XPREP and https://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php?title=SHELX_C/D/E . Hope this helps, 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/
