Thank you all - excellent solutions and choice can stay unhappy.. On Tue, 20 Jul 2021 at 13:27, Jon Cooper < 0000488a26d62010-dmarc-requ...@jiscmail.ac.uk> wrote:
> Or Bernard's: > > http://www.ruppweb.org/new_comp/anomalous_scattering.htm > > > Sent from ProtonMail mobile > > > > -------- Original Message -------- > On 20 Jul 2021, 12:45, Tim Gruene < tim.gru...@univie.ac.at> wrote: > > > 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 > <https://www.google.com/maps/search/59+Temple+Place+-+Suite+330,+Boston,+MA%0D%0A%3E+02111-1307,+USA?entry=gmail&source=g>. > > > -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/ > ------------------------------ > > 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 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/
