#------------------------------------------------------------------------------ #$Date: 2016-04-02 23:01:02 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180900 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/40/2104009.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2104009_Fobs loop_ _publ_author_name 'H\"owing, Jonas' 'Gustafsson, Torbj\"orn' 'Thomas, John O.' _publ_section_title ; Low-temperature structure of V~6~O~13~ ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 747 _journal_page_last 752 _journal_volume 59 _journal_year 2003 _space_group_IT_number 7 _symmetry_space_group_name_Hall 'P -2yc' _symmetry_space_group_name_H-M 'P 1 c 1' _cod_data_source_file bm5002Bruker_datasup3.hkl _cod_data_source_block Bruker_data _cod_depositor_comments ; 1. "Ungluing" Inf tokens (aparently infinite sigma values for reflection structure factors). Unfortunately, the "glued" values (i.e. values not separated by whitespace from the previous token) did not result in a detectable syntax error -- by chance, the number of elements in the _refln_ loop was still divisible by the loop column number. 2. Refomatting 2104009.hkl so that each _refln_ loop row occupies one file line: cif_filter \ --add-cif-header ~/struct/cod/hkl/2/2104009.hkl \ --use-all ~/struct/cod/hkl/2/2104009.hkl \ | sponge \ ~/struct/cod/hkl/2/2104009.hkl 3. Replacing values 'Inf' with '?' (both unquoted) in the _refln_ loop so that the file can be validated against cif_core.dic (and hopefully more useful for processing). Saulius Gra\