Dear Eleanor, not sure how to make Chooch happy, but maybe Ethan Merrit can make you happy: there is his excellent server for the anomalous signal for X-ray scattering at http://skuld.bmsc.washington.edu/scatter/
When you choose Br instead of Grr, you find http://skuld.bmsc.washington.edu/scatter/data/Br.dat, or you read your values from the interactive plot http://skuld.bmsc.washington.edu/scatter/AS_form.html Best, Tim On Tue, 20 Jul 2021 12:28:16 +0100 Eleanor Dodson <0000176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote: > Grr - stuck at home - what is f' and f' for Br??? > > All nicely tabulated on my desktop but not here.. > > So use chooch.. > but it grumbles about file name null ???? > > How can I make it happy? > Any help gratefully received > > Eleanor > > > eleanor@wombat cysbfull % chooch -e Br -e 0.92 > ================================================== > chooch-5.0.9 > by Gwyndaf Evans Copyright (C) 1994--2013 > gwyn...@gwyndafevans.co.uk > > G. Evans & R. F. Pettifer (2001) > J. Appl. Cryst. 34, 82-86. > ================================================== > > License information > ------------------- > Chooch comes with ABSOLUTELY NO WARRANTY; for details > type `chooch -w'. This is free software, and you are > welcome to redistribute it under certain conditions; > type `chooch -c' for details. > > You should have received a copy of the GNU General Public License > along with this program; if not, write to the Free Software > Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA > 02111-1307, USA. > > -e: Atomic element = Br > -e: Atomic element = 0.92 > Fluorescence scan filename: (null) > Chooch output > > ######################################################################## > > 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/ -- -- Tim Gruene Head of the Centre for X-ray Structure Analysis Faculty of Chemistry University of Vienna Phone: +43-1-4277-70202 GPG Key ID = A46BEE1A ######################################################################## 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/
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