out_powdercifdatablock
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out_powdercifdatablock [2012/11/23 18:08] – created pamwhitfield | out_powdercifdatablock [2022/11/03 15:08] (current) – external edit 127.0.0.1 | ||
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+ | Output refinement fit in IUCr-friendly CIF format | ||
+ | Using Get(weighting) should work with fixed and variable step/ | ||
+ | pdCIFplot seems happy with everything thrown at it so far | ||
+ | |||
+ | <code topas> | ||
+ | { | ||
+ | out file | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | { | ||
+ | " %9.0f" = Xi+1; | ||
+ | " %11.5f" | ||
+ | " %11.5f" | ||
+ | " %11.5f" | ||
+ | " %11.5f\n" | ||
+ | } | ||
+ | } | ||
+ | </ |