Hello Tim :-) You can try to do this with sftools. It is also an interactive type of program input but you can easily calculate correlations. After converting xds files to mtz, you can try some thing like this :
sftools << eof > sftools_1.log READ $mtz1 READ $mtz2 SELECT RESOL > 2.8 CORREL COL 5 10 SHELLS 10 eof For the ploting, I'll use gnuplot after parsing the sftools_1.log file. Good luck with this, Cheers, Pierre ________________________________________ De : CCP4 bulletin board [[email protected]] de la part de Tim Gruene [[email protected]] Envoyé : vendredi 14 mars 2014 10:33 À : [email protected] Objet : [ccp4bb] pairwise CCano -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear all, I am looking for a tool that prints (and preferably plots, e.g. as postscript) the pairwise anomalous CC vs. resolution for several input HKL-files. xprep does this, but it is interactive and requires a fair bit of typing. Since I have a large number of HKL-files from XDS, I would like to script that and then flip through the pages of the postscript-plots. I looked into pointless but could not find even a table. Since there recently were some publications one the use of many files for phasing, I though such a tool should exist!? Best, Tim - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.12 (GNU/Linux) Comment: Using GnuPG with Icedove - http://www.enigmail.net/ iD8DBQFTIszcUxlJ7aRr7hoRApYyAKDt36pF11DAbkfcXVq+uLjqvm91HgCfSZ+V BVpiCx4q9DZZCqDLenHX374= =itCO -----END PGP SIGNATURE-----
