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out_powdercifdatablock [2012/11/23 18:08]
pamwhitfield created
out_powdercifdatablock [2021/09/20 06:23] (current)
rowlesmr3 made the loop headers match the output given in the macro
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-'Output refinement fit in IUCr-friendly CIF format +Output refinement fit in IUCr-friendly CIF format 
-'Using Get(weighting) should work with fixed and variable step/​counts + 
-'pdCIFplot seems happy with everything thrown at it so far +Using Get(weighting) should work with fixed and variable step/counts. 
-macro Out_PowderCIFDataBlock(file)+pdCIFplot seems happy with everything thrown at it so far 
 + 
 +<code topas>macro Out_PowderCIFDataBlock(file)
 { {
    out file    out file
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    ​Out_String("​\n_pd_proc_point_id"​)    ​Out_String("​\n_pd_proc_point_id"​)
    ​Out_String("​\n_pd_meas_2theta_scan"​)    ​Out_String("​\n_pd_meas_2theta_scan"​)
-   ​Out_String("​\n_pd_proc_intensity_total"​) 
    ​Out_String("​\n_pd_calc_intensity_total"​)    ​Out_String("​\n_pd_calc_intensity_total"​)
 +   ​Out_String("​\n_pd_proc_intensity_total"​)
    ​Out_String("​\n_pd_proc_ls_weight"​)    ​Out_String("​\n_pd_proc_ls_weight"​)
    ​Out_String("​\n"​) ​     ​    ​Out_String("​\n"​) ​     ​
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    }    }
 } }
 +</​code>​

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