############################################################################## ### CIF submission form for powder diffraction data (IUCr journals) ### ### Version 11 February 2005 ### ############################################################################## # This is an electronic "form" for submitting powder diffraction data in CIF # format to an IUCr journal. The data for each powder profile should be sent # as a separate file consisting of one data block. The value of _pd_block_id # is used to associate each powder profile with a Rietveld refinement, since # it must match the value of _pd_block_diffractogram_id in the CIF used to # report the results of the refinement. The current version of the powder # CIF dictionary, which contains definitions of the terms starting _pd_, # may be obtained from http://www.iucr.org/iucr-top/cif/pd/index.html. # Note that the query marks '?' are significant as placeholders, and should # not be deleted where a data item is not given, UNLESS the accompanying data # name is also deleted. Lines should not exceed 80 characters in length. The # comments following a hash symbol '#' may be deleted if wished. data_I _pd_block_id CuRbprofile #---- raw/calc data loop ----- _pd_meas_2theta_range_min 10.0 _pd_meas_2theta_range_max 140.68042 _pd_meas_2theta_range_inc 0.01434 _pd_proc_2theta_range_min 9.9193 _pd_proc_2theta_range_max 140.59972 _pd_proc_2theta_range_inc 0.01434 loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 16605.0 0.0000602 16988.54102 16988.55469 16666.0 0.0000600 16919.76367 16919.78320 16745.0 0.0000597 16852.72266 16852.73242 16588.0 0.0000603 16787.35938 16787.36914 16660.0 0.0000600 16723.60742 16723.61719 16569.0 0.0000604 16661.43750 16661.44141 16501.0 0.0000606 16600.77734 16600.78516 16461.0 0.0000607 16541.60547 16541.61328 16414.0 0.0000609 16483.85156 16483.85938 16289.0 0.0000614 16427.48828 16427.49609 16411.0 0.0000609 16372.45703 16372.46094 16261.0 0.0000615 16318.71680 16318.72363 16261.0 0.0000615 16266.23047 16266.23340 16137.0 0.0000620 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